SCHEMBL2065633

SCHEMBL2065633

CC(C)(C)N(Cc1ccc(Cl)nc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2924337 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL3326164 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL377998 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL16037963 0.78 NPC1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL6425765 0.78 AR (0.42) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL68419 0.78 RECQL (0.47) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL18546474 0.77 SIRT6 (0.39) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL5048925 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL1798621 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1ATM
SCHEMBL356816 0.75 MEN1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HTT

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
EP-2383269-B1 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases BAYER IP GMBH (DE) 2017-01-18 EP disclosed
EP-2546253-B1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER IP GMBH (DE) 2015-01-14 EP disclosed
EP-2084151-B1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER IP GMBH (DE) 2013-05-29 EP disclosed
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 EP disclosed
EP-2546253-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES Bayer Intellectual Property GmbH (DE) 2013-01-16 EP disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
EP-2383269-A2 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases Bayer Pharma AG (DE) 2011-11-02 EP disclosed
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 US disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 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-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA ALDH1A1 3480/4885MEN1 1012/4885KMT2A 341/4885
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC ALDH1A1 1921/4885MEN1 991/4885KMT2A 1431/4885
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 ALDH1A1 1870/4885MEN1 910/4885KMT2A 1723/4885

“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.