Sugi Predict

Sugi Predict / Compounds / SCHEMBL5137325

SCHEMBL5137325

SCHEMBL5137325

O=c1[nH]ccc(N[C@H](CO)Cc2ccccc2)c1-c1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 10/20 0.67
▸ CYP3A4 P08684 5/20 0.67
▸ CYP1A2 P05177 4/20 0.67
▸ CYP2C9 P11712 4/20 0.67
▸ CYP2C19 P33261 4/20 0.67
▸ CYP2D6 P10635 1/20 0.59
▸ JAK1 P23458 10/20 0.55
▸ JAK2 O60674 2/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ PRKAA1 Q13131 2/20 0.51
▸ NUAK1 O60285 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ BRSK1 Q8TDC3 1/20 0.51
▸ SIK2 Q9H0K1 1/20 0.51

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
SCHEMBL5137327 1.00 IGF1R (0.67) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095775 0.88 IGF1R (0.65) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095771 0.88 IGF1R (0.65) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096194 0.86 IGF1R (0.61) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096187 0.86 IGF1R (0.61) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5136772 0.85 IGF1R (0.78) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5136771 0.85 IGF1R (0.78) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6094830 0.82 IGF1R (0.70) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6094835 0.82 IGF1R (0.70) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5517812 0.82 IGF1R (0.84) 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 18 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 claimed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 — — US claimed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 — — EP claimed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 — — WO claimed
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
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 — — EP disclosed
US-20050075358-A1 Methods for treating IGF1R-inhibitor induced hyperglycemia BRISTOL-MYERS SQUIBB COMANY 2005-04-07 — — US disclosed
US-20040209930-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 — — US disclosed
US-20040106605-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 — — WO disclosed
US-20040072760-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-04-15 — — 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 (6 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-20040072760-A1 Synergistic methods and compositions for treating cancer IGF1R, MCL1, IGFBP2 IGF1R 1/4885CYP3A4 4799/4885CYP1A2 4712/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER IGF1R 216/4885CYP3A4 2334/4885CYP1A2 1415/4885
US-20040106605-A1 Synergistic methods and compositions for treating cancer EGFR, IGF1R, ERBB3 IGF1R 2/4885CYP3A4 4824/4885CYP1A2 4711/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 IGF1R 1/4885CYP3A4 4810/4885CYP1A2 4699/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 IGF1R 302/4885CYP3A4 2522/4885CYP1A2 1634/4885
US-20050075358-A1 Methods for treating IGF1R-inhibitor induced hyperglycemia IGF1R, IGFBP1, IRS1 IGF1R 1/4885CYP3A4 3956/4885CYP1A2 4281/4885

“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.