SCHEMBL3932154

SCHEMBL3932154

C(=C/c1n[nH]c2ccc(OCc3ccccc3)cc12)\c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.61
NTRK3 Q16288 2/20 0.61
NTRK2 Q16620 2/20 0.61
CHEK1 O14757 9/20 0.57
KDR P35968 8/20 0.57
CDK4 P11802 2/20 0.57
CCND1 P24385 2/20 0.57
CCND3 P30281 2/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
FGFR1 P11362 1/20 0.55
AURKA O14965 3/20 0.55
AURKB Q96GD4 1/20 0.55
LCK P06239 2/20 0.54
TTK P33981 1/20 0.50
IP6K1 Q92551 1/20 0.46

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
SCHEMBL3932160 1.00 NTRK1 (0.61) NTRK1NTRK3NTRK2CHEK1KDR
SCHEMBL25278552 0.85 NTRK1 (0.55) NTRK1NTRK3NTRK2TTKIP6K1
SCHEMBL627903 0.79 TTK (0.59) NTRK1TTKIP6K1
SCHEMBL5508123 0.78 CHEK1 (0.61) CHEK1KDRCDK4CCND1CCND3
SCHEMBL5508124 0.78 CHEK1 (0.61) CHEK1KDRCDK4CCND1CCND3
SCHEMBL5386440 0.78 TTK (0.72) NTRK1NTRK3NTRK2CDK2AURKB
SCHEMBL2574384 0.78 TTK (0.55) NTRK1NTRK3NTRK2TTKIP6K1
SCHEMBL17982284 0.78 TTK (0.55) NTRK1NTRK3NTRK2TTKIP6K1
SCHEMBL27681104 0.77 KDR (0.52) NTRK1NTRK3NTRK2CHEK1KDR
SCHEMBL3917601 0.77 CHEK1 (0.67) CHEK1KDRCDK4CCND1CCND3

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
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
CN-1894264-A Organophosphorous indazole derivatives and use thereof as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 NTRK1 1855/4885NTRK3 614/4885NTRK2 2298/4885

“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.