SCHEMBL10940331

SCHEMBL10940331

CCc1ncnc2cc(O)c(OC)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.52
RET P07949 7/20 0.46
KDR P35968 7/20 0.46
KIF5B P33176 4/20 0.46
ENPP1 P22413 3/20 0.46
GAK O14976 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45
FLT3 P36888 1/20 0.45
JAK3 P52333 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
SLK Q9H2G2 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45
ALK Q9UM73 1/20 0.45
LCK P06239 1/20 0.44
AURKB Q96GD4 2/20 0.44
CSF1R P07333 2/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL10945990 0.94 EGFR (0.52) EGFRRETKDRKIF5BENPP1
Quazodine SCHEMBL636671 0.87 ENPP1 (0.58) EGFRRETKDRENPP1GAK
SCHEMBL7802744 0.83 EGFR (0.53) EGFRRETKDRKIF5BGAK
SCHEMBL16281258 0.83 EGFR (0.38) EGFRRETKDRKIF5BENPP1
SCHEMBL24392236 0.81 ENPP1 (0.68) EGFRRETKDRENPP1GAK
SCHEMBL11315816 0.79 EGFR (0.52) EGFRRETKDRKIF5BGAK
SCHEMBL10296332 0.79 KDR (0.52) EGFRRETKDRKIF5BENPP1
SCHEMBL20813470 0.79 EGFR (0.52) EGFRRETKDRKIF5BGAK
SCHEMBL3529124 0.78 KDR (0.51) EGFRRETKDRKIF5BGAK
SCHEMBL296984 0.78 ENPP1 (0.63) EGFRRETKDRKIF5BENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
US-4343940-A 6- AND/OR 7-SUBSTITUTED WITH OXIRANYLMETHOXY MEAD JOHNSON & COMPANY (US) 1982-08-10 US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 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-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK EGFR 59/4885RET 8/4885KDR 70/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 EGFR 46/4885RET 9/4885KDR 41/4885

“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.