SCHEMBL17815589

SCHEMBL17815589

NC(=O)c1ccc(Nc2cc(N)nc(Nc3ccc(C(N)=O)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.55
▸ CDK2 P24941 2/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ AURKA O14965 6/20 0.52
▸ PDPK1 O15530 1/20 0.48
▸ MAPK8 P45983 3/20 0.47
▸ RPS27 P42677 2/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ TTK P33981 1/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK10 P53779 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL2410141 0.78 RAB9A (0.50) APOBEC3AAPOBEC3GL3MBTL1NPC1RAB9A
SCHEMBL2409631 0.77 MAPT (0.53) ROCK1CDK2CDK1AURKAPDPK1
SCHEMBL5842650 0.76 RAB9A (0.73) ROCK1AURKAPDPK1MAPK8AURKB
SCHEMBL21925306 0.76 AURKA (0.52) ROCK1CDK2CDK1AURKAMAPK8
SCHEMBL15487610 0.75 AURKA (0.67) CDK2AURKAMAPK8AURKBL3MBTL1
SCHEMBL13963095 0.75 DNMT1 (0.75) ROCK1CDK2PDPK1MAPK8RPS27
SCHEMBL17815607 0.75 ROCK1 (0.61) ROCK1CDK2CDK1MAPK8RPS27
SCHEMBL19757603 0.74 HTT (0.67) ROCK1CDK2AURKAMAPK8CCNA2
SCHEMBL6673841 0.74 CA12 (0.57) ROCK1AURKAMAPK8AURKBMAPK10
SCHEMBL13852882 0.74 POLB (0.61) ROCK1AURKAMAPK8AURKBMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — 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 (2 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 ROCK1 1827/4885CDK2 2004/4885CDK1 1960/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 ROCK1 1827/4885CDK2 2004/4885CDK1 1960/4885

“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.

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