SCHEMBL369213

SCHEMBL369213

OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MGLL Q99685 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
KCNN4 O15554 1/20 0.33
KCNA3 P22001 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TRPV6 Q9H1D0 2/20 0.30
PCSK9 Q8NBP7 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
GAA P10253 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
SCHEMBL2800661 0.87 CNR1 (0.34) CA4CA6CA5ACA7ENPP2
SCHEMBL2117469 0.85 KCNN4 (0.36) CA4CA6CA5ACA7ENPP2
SCHEMBL14599403 0.83 KCNN4 (0.33) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL7254281 0.77 GAA (0.48) CA4CA14CA1CA2KCNN4
SCHEMBL70574 0.73 L3MBTL1 (0.44) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL29771432 0.73 L3MBTL1 (0.41) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL69872 0.73 KCNN4 (0.36) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL511015 0.73 ALDH1A1 (0.38) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL21233040 0.73 KDM4E (0.39) KCNN4KCNA3CYP11B1CYP11B2GAA
SCHEMBL8313319 0.73 KCNN4 (0.36) KCNN4KCNA3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
CN-116490507-A Heterocyclic condensation CDC7 kinase inhibitors for the treatment of cancer 薛定谔公司 2023-07-25 CN disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 US disclosed
EP-2628738-A1 Heterocyclic substituted pyridine derivatives and antifungal agent containing same Eisai R&D Management Co., Ltd. (JP) 2013-08-21 EP disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 WO disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
EP-0937072-B1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE MERCK SHARP & DOHME (GB) 2002-01-09 EP disclosed
US-6262103-B1 ALZHEIMER'S DISEASE. MERCK SHARP & DOHME LIMITED (GB) 2001-07-17 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 (4 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-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 CA4 3325/4885CA6 2886/4885CA5A 3650/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CA4 2151/4885CA6 1691/4885CA5A 1376/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 CA4 4460/4885CA6 4662/4885CA5A 3456/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 CA4 4460/4885CA6 4662/4885CA5A 3456/4885

“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.