SCHEMBL6284192

SCHEMBL6284192

CC(=O)Nc1cncc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CDK2 P24941 2/20 0.44
BRAF P15056 3/20 0.43
GRM5 P41594 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA3 P0DMS8 5/20 0.41
CSF1R P07333 2/20 0.40
LMNA P02545 1/20 0.40
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39

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
SCHEMBL4413746 0.86 KDM4E (0.53) PTK2KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL5170655 0.82 CDK2 (0.50) CDK2GRM5ALDH1A1CSF1R
SCHEMBL6656588 0.82 BRAF (0.62) CDK2BRAFL3MBTL1
SCHEMBL6208080 0.81 PIK3CA (0.47)
SCHEMBL1431348 0.78 KDM4E (0.47) PTK2KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL19736359 0.78 CYP1A2 (0.51) KDM4EHSP90AA1HSP90AB1BRAFADORA3
SCHEMBL14518147 0.78 ATR (0.48) CDK2GRM5CSF1R
SCHEMBL21928148 0.77 KDM4E (0.46) PTK2KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL21827821 0.77 KDM4E (0.46) PTK2KDM4EHSP90AA1HSP90AB1CDK2
SCHEMBL19706555 0.77 KDM4E (0.46) PTK2KDM4EHSP90AA1HSP90AB1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970296-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2970296-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2970296-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
WO-2014143610-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
WO-2014143610-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
CN-1745074-A 5-HT receptor ligands and uses thereof PFIZER PROD INC (US) 2006-03-08 CN disclosed
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (5 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A PTK2 2650/4885KDM4E 4327/4885HSP90AA1 1136/4885
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNJ2, KCNA4 PTK2 4494/4885KDM4E 1004/4885HSP90AA1 3470/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A PTK2 2650/4885KDM4E 4327/4885HSP90AA1 1136/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 PTK2 4152/4885KDM4E 1453/4885HSP90AA1 3237/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A PTK2 2285/4885KDM4E 4285/4885HSP90AA1 1108/4885

“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.