SCHEMBL10240740

SCHEMBL10240740

CCN(Cc1ccncc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP2C9 P11712 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40

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
SCHEMBL24968790 0.82 CYP19A1 (0.39) HSD17B10ALDH1A1PKMHTTRECQL
SCHEMBL14493056 0.81 HRH3 (0.43) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP1A2
SCHEMBL26239736 0.79 CYP19A1 (0.41) HSD17B10ALDH1A1PKMHTTRECQL
SCHEMBL12124877 0.79 TSHR (0.50) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP1A2
SCHEMBL27418853 0.78 HDAC6 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL20901804 0.78 CNR2 (0.42) NPSR1CYP2C19
SCHEMBL20892138 0.77 NOS3 (0.44) ALDH1A1PKMSMN1; SMN2NPSR1MAPT
SCHEMBL27000039 0.77 MAOB (0.45) HSD17B10ALDH1A1PKMHTTRECQL
SCHEMBL26724521 0.77 HTT (0.43) HSD17B10ALDH1A1PKMHTTRECQL
SCHEMBL13181109 0.76 ALDH1A1 (0.46) ALDH1A1LMNATDP1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-21 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 — — US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 — — US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 — — US disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 — — US disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 — — WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 — — US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 — — US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 — — US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 — — 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 (8 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HSD17B10 3307/4885ALDH1A1 1339/4885PKM 277/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS HSD17B10 972/4885ALDH1A1 137/4885PKM 1168/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HSD17B10 3307/4885ALDH1A1 1339/4885PKM 277/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 HSD17B10 2451/4885ALDH1A1 3304/4885PKM 526/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A HSD17B10 1971/4885ALDH1A1 1556/4885PKM 1692/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS HSD17B10 972/4885ALDH1A1 137/4885PKM 1168/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HSD17B10 3307/4885ALDH1A1 1339/4885PKM 277/4885
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VIP, PREP, ACE HSD17B10 1486/4885ALDH1A1 3275/4885PKM 1945/4885

“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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