SCHEMBL4949129

SCHEMBL4949129

CCc1ccccc1N(CC)C(=O)N1Cc2[nH]nc(C(=O)O)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.39
CDK2 P24941 6/20 0.39
CCNA1 P78396 6/20 0.39
AURKA O14965 5/20 0.39
HCAR2 Q8TDS4 10/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
FLT3 P36888 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
AURKB Q96GD4 1/20 0.35
AURKC Q9UQB9 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL4946526 0.88 KDM4E (0.41) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL4949121 0.76 AURKA (0.62) CCNA2CDK2CCNA1AURKAHCAR2
SCHEMBL4948583 0.70 LMNA (0.32)
SCHEMBL4943590 0.65 AURKA (0.58) AURKAHCAR2KMT2A
SCHEMBL8751588 0.65 TSHR (0.52) KMT2A
SCHEMBL4949038 0.64 HCAR2 (0.47) HCAR2CREBBPKMT2A
SCHEMBL17222996 0.64 HCAR2 (0.43) HCAR2KMT2A
SCHEMBL4946521 0.64 AURKA (0.58) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL27320089 0.62 TSHR (0.47) KMT2A
SCHEMBL13374012 0.62 CREBBP (0.57) HCAR2BRD4CREBBPMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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 (1 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 CCNA2 990/4885CDK2 534/4885CCNA1 727/4885

“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.