SCHEMBL5135627

SCHEMBL5135627

Cc1cc(C2=NCCN2)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.79
CYP3A4 P08684 6/20 0.79
CYP1A2 P05177 5/20 0.79
CYP2C9 P11712 5/20 0.79
CYP2C19 P33261 5/20 0.79
CYP2D6 P10635 1/20 0.65

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
SCHEMBL5135629 1.00 IGF1R (0.79) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5137937 0.96 IGF1R (0.76) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5137939 0.96 IGF1R (0.76) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095273 0.94 IGF1R (0.69) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095304 0.94 IGF1R (0.69) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096682 0.93 IGF1R (0.68) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096652 0.93 IGF1R (0.68) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096078 0.92 IGF1R (0.66) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096086 0.92 IGF1R (0.66) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095632 0.92 IGF1R (0.68) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER IGF1R 216/4885CYP3A4 2334/4885CYP1A2 1415/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 IGF1R 302/4885CYP3A4 2522/4885CYP1A2 1634/4885

“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.