SCHEMBL6319302

SCHEMBL6319302

O=C1Cc2c(cccc2-c2ccc(F)c(Cl)c2)N1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.59
BRD4 O60885 2/20 0.59
TDP2 O95551 1/20 0.53
PGR P06401 7/20 0.48
CCNB2 O95067 3/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
GSK3B P49841 3/20 0.46
CCNB3 Q8WWL7 3/20 0.46
PIP4K2A P48426 1/20 0.46
PIP4K2B P78356 1/20 0.46
ABL1 P00519 1/20 0.45
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL6319680 0.83 PGR (0.58) TDP2PGRCCNB2CDK1CCNB1
SCHEMBL6324288 0.83 CCNB2 (0.49) TDP2PGRCCNB2CDK1CCNB1
SCHEMBL6322118 0.82 PIP4K2A (0.44) CREBBPBRD4PGRCCNB2CDK1
SCHEMBL155873 0.80 GSK3B (0.50) CREBBPBRD4TDP2PGRCCNB2
SCHEMBL6319355 0.80 GSK3B (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL152272 0.80 GSK3B (0.50) CREBBPBRD4TDP2PGRCCNB2
SCHEMBL6321586 0.79 GSK3B (0.48) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL152280 0.77 CCNB2 (0.51) CREBBPBRD4CCNB2CDK1CCNB1
SCHEMBL6328529 0.76 BRD4 (0.54) CREBBPBRD4TDP2PGRCCNB2
SCHEMBL153534 0.75 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3

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-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed
US-20040157909-A1 4-Aryl substituted indolinones SUGEN, INC. 2004-08-12 US disclosed
US-6677368-B2 4-aryl substituted indolinones SUGEN, INC. 2004-01-13 US disclosed
EP-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
US-20030069297-A1 4-aryl substituted indolinones SUGEN, INC. 2003-04-10 US disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 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-20030069297-A1 4-aryl substituted indolinones CDK5, CAMK4, TNK2 CREBBP 174/4885BRD4 180/4885TDP2 1952/4885
US-20040157909-A1 4-Aryl substituted indolinones CDK5, CAMK4, TNK2 CREBBP 174/4885BRD4 180/4885TDP2 1952/4885

“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.