SCHEMBL960348

SCHEMBL960348

COc1ccc(CCNc2nccc(-c3cccc(C(=O)NCCCN(C(=O)O)C(C)(C)C)c3)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
MAPT P10636 4/20 0.46
PTGDR Q13258 1/20 0.46
TP53 P04637 3/20 0.44
HDAC1 Q13547 1/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL958575 0.89 FYN (0.52) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL3400297 0.88 CCNT1 (0.52) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL12918930 0.86 ABL1 (0.55) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL12918929 0.85 CCNT1 (0.49) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL962081 0.85 MAPT (0.48) MAPK1CCNT1CCNA2CDK2CDK9
Hydrochloric Acid SCHEMBL962334 0.85 ABL1 (0.54) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL959846 0.85 MAPT (0.48) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL961569 0.84 MAPT (0.49) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL959130 0.82 PTGDR (0.64) MAPK1CCNT1CCNA2CDK2CDK9
SCHEMBL958199 0.82 SMYD2 (0.51) MAPK1CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 MAPK1 2190/4885CCNT1 3526/4885CCNA2 2428/4885

“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.