SCHEMBL5366368

SCHEMBL5366368

COc1cccc(O)c1C=C1C(=O)Nc2c(Br)cc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.44
RAF1 P04049 1/20 0.44
NTRK1 P04629 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
RET P07949 2/20 0.43
PLK4 O00444 2/20 0.42
PLK1 P53350 1/20 0.42
CSNK1D P48730 3/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1E P49674 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL5367274 0.84 MEN1 (0.53) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL5365807 0.84 PLK4 (0.42) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL5363581 0.83 ERN1 (0.48) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL7133980 0.81 NPC1 (0.60) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL7139730 0.81 RET (0.40) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL7134847 0.81 KDM1A (0.58) CDK2RETPLK4PLK1ALDH1A1
SCHEMBL5365740 0.80 PTPN1 (0.51) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL5366869 0.78 IGF1R (0.56) CDK2RAF1NTRK1CCNA2CCNA1
SCHEMBL7136300 0.78 MAP3K7 (0.45) RAF1NTRK1PLK4PLK1ALDH1A1
SCHEMBL5362880 0.77 PLK4 (0.57) RAF1RETPLK4PLK1ALDH1A1

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-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK CDK2 256/4885RAF1 245/4885NTRK1 223/4885

“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.