SCHEMBL2738306

SCHEMBL2738306

C#Cc1ccc(C(C)C)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.33
GRM5 P41594 1/20 0.33
CHRNA7 P36544 1/20 0.32
KEAP1 Q14145 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL2737290 0.79 ALDH1A1 (0.46) GRM5EGLN2
SCHEMBL888963 0.76 EGLN1 (0.38) GRM5CHRNA7
SCHEMBL23250806 0.75 GRM5 (0.50) GRM5
SCHEMBL17970841 0.73 HDAC8 (0.34) HDAC8
SCHEMBL24897503 0.72 CYP2C9 (0.32) ESR1ESR2
SCHEMBL24838450 0.72 PARP1 (0.31)
SCHEMBL24838385 0.72 PARP1 (0.31)
SCHEMBL503236 0.71
SCHEMBL19116223 0.71 APP (0.49) GRM5
SCHEMBL21326764 0.71 ACACB (0.49) GRM5CHRNA7

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
CN-117658947-A 5- (substituted aryl) -1,2, 5-thiadiazolin-3-one compounds with protein tyrosine phosphatase inhibiting effect 杭州中美华东制药有限公司 2024-03-08 CN disclosed
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 US disclosed
US-RE46630-E1 Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHELHEIM INTERNATIONAL GMBH (DE) 2017-12-12 US disclosed
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-9102624-B2 Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-08-11 US disclosed
US-8883779-B2 Oxazine derivatives and a pharmaceutical composition for inhibiting BACE1 containing them SHINOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140057916-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM SHIONOGI & CO., LTD. (JP) 2014-02-20 US disclosed
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof ASTRAZENECA AB (SE) 2013-06-27 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-8343996-B2 Azaquinolinone derivatives and uses thereof ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20100130540-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-05-27 US disclosed
US-20100130540-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-05-27 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-20100130540-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF TPMT, AZI2, NNMT HDAC8 11/4885GRM5 458/4885CHRNA7 574/4885
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof TPMT, AZI2, NNMT HDAC8 11/4885GRM5 458/4885CHRNA7 574/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC8 3221/4885GRM5 2424/4885CHRNA7 4447/4885
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B HDAC8 2829/4885GRM5 105/4885CHRNA7 36/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC8 3221/4885GRM5 2424/4885CHRNA7 4447/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HDAC8 743/4885GRM5 2971/4885CHRNA7 4860/4885
US-20140057916-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 HDAC8 2388/4885GRM5 3825/4885CHRNA7 3289/4885
US-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM BACE1, BACE2, APP HDAC8 1020/4885GRM5 777/4885CHRNA7 22/4885

“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.