SCHEMBL958575

SCHEMBL958575

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.52
CCNT1 O60563 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
MAPK1 P28482 1/20 0.49
OPRM1 P35372 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HDAC1 Q13547 1/20 0.47
PTGDR Q13258 1/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
CHUK O15111 1/20 0.45
INSR P06213 1/20 0.45
MAPK8 P45983 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
SCHEMBL12918930 0.90 ABL1 (0.55) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL3400297 0.90 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9MAPK1
Hydrochloric Acid SCHEMBL962334 0.89 ABL1 (0.54) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL960348 0.89 MAPK1 (0.47) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL12918931 0.89 CCNT1 (0.51) CCNT1CCNA2CDK2CDK9MAPK1
Hydrochloric Acid SCHEMBL963731 0.88 CCNT1 (0.50) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL12918929 0.86 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL958199 0.86 SMYD2 (0.51) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL959130 0.84 PTGDR (0.64) CCNT1CCNA2CDK2CDK9MAPK1
SCHEMBL12918993 0.84 ABCB1 (0.52) CCNT1CCNA2CDK2CDK9MAPK1

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
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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 FYN 1882/4885CCNT1 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.