Sugi Predict

Sugi Predict / Compounds / SCHEMBL5011102

SCHEMBL5011102

SCHEMBL5011102

COc1nccc(I)c1-c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 2/20 0.38
▸ GRIA1 P42261 1/20 0.37
▸ AMY1A P0DUB6 5/20 0.35
▸ BTK Q06187 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ RUNX1 Q01196 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDE3B Q13370 4/20 0.34
▸ PDE3A Q14432 4/20 0.34
▸ KDR P35968 2/20 0.34
▸ AURKA O14965 1/20 0.34

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
SCHEMBL13994725 0.81 TLR8 (0.39) CBFBAMY1ANPC1RAB9ARUNX1
SCHEMBL5132785 0.79 PDE3B (0.54) CBFBAMY1ANPC1RAB9ARUNX1
SCHEMBL5009186 0.77 PDE5A (0.40) CBFBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12135396 0.76 ALDH1A1 (0.39) CBFBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12136086 0.76 NTRK1 (0.33) CBFBKDRAURKA
SCHEMBL773810 0.75 NTRK1 (0.47) KDM4EALDH1A1KDRAURKAPDGFRB
SCHEMBL12136129 0.74 CARM1 (0.34) CBFBCYP2C9KDRAURKAPDGFRB
SCHEMBL768728 0.74 HTR4 (0.44) FGFR1
SCHEMBL12136149 0.73 NTRK1 (0.46) KDRAURKAFGFR1
SCHEMBL773366 0.72 CARM1 (0.36) CBFBKDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 — — US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 — — US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 — — US disclosed
US-20040180897-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 — — 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 (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-20040180897-A1 Novel tyrosine kinase inhibitors ABL1, ROS1, YES1 CBFB 1930/4885GRIA1 1078/4885AMY1A 4485/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 CBFB 2062/4885GRIA1 1204/4885AMY1A 4629/4885

“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.