SCHEMBL4501781

SCHEMBL4501781

CN1CCN(C(=O)c2ccc(NC(=C3C(=O)Nc4cc(F)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
BACE1 P56817 1/20 0.45
CYP2C9 P11712 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NAMPT P43490 8/20 0.43
POLB P06746 1/20 0.43
FLT3 P36888 1/20 0.43
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GRM5 P41594 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
SCHEMBL4501778 1.00 EPHX2 (0.53) EPHX2BACE1CYP2C9CDK5CDK5R1
SCHEMBL4493061 0.91 EPHX2 (0.52) EPHX2BACE1NAMPTFLT3
SCHEMBL4493057 0.91 EPHX2 (0.52) EPHX2BACE1NAMPTFLT3
SCHEMBL4504723 0.91 BACE1 (0.46) BACE1NAMPTFLT3USP2CYP1A2
SCHEMBL3847376 0.91 CDK5 (0.47) EPHX2CYP2C9CDK5CDK5R1NAMPT
SCHEMBL4504719 0.91 BACE1 (0.46) BACE1NAMPTFLT3USP2CYP1A2
SCHEMBL226897 0.90 EPHX2 (0.49) EPHX2BACE1CDK5CDK5R1NAMPT
SCHEMBL226898 0.90 EPHX2 (0.49) EPHX2BACE1CDK5CDK5R1NAMPT
SCHEMBL4488368 0.90 CCNC (0.48) EPHX2BACE1NAMPTFLT3USP2
SCHEMBL4488363 0.90 CCNC (0.48) EPHX2BACE1NAMPTFLT3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR EPHX2 2278/4885BACE1 1615/4885CYP2C9 277/4885

“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.