SCHEMBL6284635

SCHEMBL6284635

CCNCCN1CCNC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CREBBP Q92793 1/20 0.40
SCN9A Q15858 6/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL6285538 0.89 KMT2A (0.43) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL471729 0.88 ALDH1A1 (0.50) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6287265 0.88 KMT2A (0.43) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL18711241 0.87 KMT2A (0.48) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL22030392 0.86 ALDH1A1 (0.49) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6286733 0.86 KMT2A (0.42) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6289546 0.84 KMT2A (0.46) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6284231 0.84 KMT2A (0.40) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL6289602 0.82 KMT2A (0.39) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL24530272 0.82 KMT2A (0.47) KMT2ARAB9AALDH1A1KDM4ELMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666274-A1 CARBOXAMIDE DERIVATIVES AND USE THEREOF Purdue Pharma LP (US) 2020-06-17 EP disclosed
EP-3221306-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 WO disclosed
US-20170096421-A1 Carboxamide Derivatives and Use Thereof PURDUE PHARMA L.P. 2017-04-06 US disclosed
US-9493449-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2016-11-15 US disclosed
WO-2016081679-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 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 (3 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A KMT2A 2686/4885RAB9A 2270/4885ALDH1A1 265/4885
US-20170096421-A1 Carboxamide Derivatives and Use Thereof TRPV1, CACNA1A, SCN10A KMT2A 1142/4885RAB9A 1769/4885ALDH1A1 1621/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KMT2A 939/4885RAB9A 5/4885ALDH1A1 1939/4885

“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.