SCHEMBL1667217

SCHEMBL1667217

CCN1CCN(Cc2ccncc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ KDM4E B2RXH2 5/20 0.58
▸ LSS P48449 1/20 0.56
▸ TSHR P16473 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ CASP4 P49662 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ CCR2 P41597 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RAB9A P51151 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28269086 0.89 LSS (0.66) ALDH1A1KDM4ELSSTSHRHPGD
SCHEMBL11955028 0.88 HPGD (0.69) ALDH1A1KDM4ETSHRHPGDCYP3A4
SCHEMBL2056150 0.84 MC4R (0.66) ALDH1A1KDM4ELSSHPGDCASP1
SCHEMBL3994683 0.81 HRH3 (0.67) ALDH1A1KDM4ELSSHPGDCASP1
SCHEMBL10294628 0.81 HRH3 (0.70) CYP3A4POLBMEN1KMT2ASIGMAR1
SCHEMBL8229397 0.79 PKM (0.52) ALDH1A1KDM4ELSSTSHRHPGD
SCHEMBL10294004 0.79 LSS (0.51) ALDH1A1KDM4ELSSTSHRHPGD
SCHEMBL28799508 0.79 KDM4E (0.54) ALDH1A1KDM4ELSSTSHRHPGD
SCHEMBL13442 0.79 HRH3 (0.71) ALDH1A1KDM4ELSSHPGDCASP1
SCHEMBL1045589 0.79 SIGMAR1 (0.78) ALDH1A1KDM4EPOLBNPC1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 — — EP claimed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 — — WO claimed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 — — US disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 — — EP disclosed
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications NANTBIO, INC. 2013-01-24 — — US disclosed
US-20120264759-A1 BENZYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-18 — — US disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 — — US disclosed
US-20120202818-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-09 — — US disclosed
US-20120196860-A1 Triazine derivatives and their therapeutical applications CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-02 — — US disclosed
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 — — US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 — — US disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 — — US disclosed
US-7858782-B2 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE, LLC (US) 2010-12-28 — — US disclosed
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders ABRAXIS BIOSCIENCE, INC. (US) 2008-07-24 — — US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 ALDH1A1 213/4885KDM4E 4209/4885LSS 799/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 ALDH1A1 4081/4885KDM4E 3621/4885LSS 3907/4885
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications IL5, IKZF3, CYP11B2 ALDH1A1 360/4885KDM4E 4349/4885LSS 776/4885
US-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 ALDH1A1 3032/4885KDM4E 1623/4885LSS 4642/4885
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 ALDH1A1 3351/4885KDM4E 2463/4885LSS 3607/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 ALDH1A1 3032/4885KDM4E 1623/4885LSS 4642/4885
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications SLC10A1, GLS, SLC10A2 ALDH1A1 494/4885KDM4E 4469/4885LSS 1243/4885
US-20120264759-A1 BENZYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, BAZ2B, PRKCZ ALDH1A1 4143/4885KDM4E 2187/4885LSS 3703/4885
US-20120196860-A1 Triazine derivatives and their therapeutical applications MAP3K2, MAP3K5, MAP4K2 ALDH1A1 3921/4885KDM4E 2636/4885LSS 3757/4885
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A ALDH1A1 3429/4885KDM4E 3203/4885LSS 3602/4885
US-20120202818-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS UCK2, ULK2, ULK1 ALDH1A1 3580/4885KDM4E 2084/4885LSS 4424/4885
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders MAP3K15, DSTYK, STK25 ALDH1A1 4099/4885KDM4E 1292/4885LSS 4528/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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