SCHEMBL6163475

SCHEMBL6163475

Clc1cc(Cl)cc(-c2c[nH]nn2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMO O15229 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
IDO1 P14902 1/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL29979975 0.87 TP53 (0.41) ADORA2AADORA1ADORA2BKDM1AMAOB
SCHEMBL29979978 0.87 TP53 (0.41) ADORA2AADORA1ADORA2BKDM1AMAOB
SCHEMBL29899268 0.87 BRD4 (0.37)
SCHEMBL27088387 0.87 TP53 (0.41) ADORA2AADORA1ADORA2BKDM1AMAOB
SCHEMBL2024760 0.84
SCHEMBL24216045 0.82 HSD17B10 (0.31)
SCHEMBL1336095 0.80 IDO1 (0.50) TSHRALDH1A1GFERKMOSMN1; SMN2
SCHEMBL27088378 0.80 CYP19A1 (0.40) TSHRALDH1A1SMN1; SMN2IDO1POLB
SCHEMBL29979970 0.80 CYP19A1 (0.40) TSHRALDH1A1SMN1; SMN2IDO1POLB
SCHEMBL5612785 0.78 RPA1 (0.44) SMN1; SMN2CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-9982015-B2 Cyclin based inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2018-05-29 US disclosed
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9376465-B2 Cyclin based inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2016-06-28 US disclosed
US-20150011730-A1 Cyclin Based Inhibitors of CDK2 and CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-08 US disclosed
US-20140296484-A1 Cyclin Based Inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2014-10-02 US disclosed
US-20130289240-A1 Cyclin Based Inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA 2013-10-31 US disclosed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO 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 (6 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-20150011730-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 TSHR 1652/4885ALDH1A1 4528/4885GFER 3752/4885
US-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP TSHR 2272/4885ALDH1A1 677/4885GFER 3537/4885
US-20130289240-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 TSHR 1652/4885ALDH1A1 4528/4885GFER 3752/4885
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 CDK4, CDK2, CDK8 TSHR 1652/4885ALDH1A1 4528/4885GFER 3752/4885
US-20140296484-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 TSHR 1652/4885ALDH1A1 4528/4885GFER 3752/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP TSHR 2470/4885ALDH1A1 977/4885GFER 3532/4885

“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.