SCHEMBL14090807

SCHEMBL14090807

COc1cc2c(C)nnc(C(C)(C)C)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
SOS1 Q07889 2/20 0.38
POLB P06746 1/20 0.37
PDE10A Q9Y233 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE3B Q13370 2/20 0.33
FGFR2 P21802 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL16558019 0.85 PDE4A (0.37) KDM4ESOS1PDE10APDE4APDE4B
SCHEMBL16281253 0.84 KDM4E (0.50) KDM4ESOS1POLBPDE10APDE4A
SCHEMBL20609572 0.81 ALDH1A1 (0.41) KDM4EPOLBPDE10APDE3AMEN1
SCHEMBL18029644 0.75 ALDH1A1 (0.45) KDM4ESOS1PDE10APDE4APDE4B
SCHEMBL23526128 0.73 KDM4E (0.42) KDM4ESOS1PDE10APDE4APDE4B
SCHEMBL29945735 0.73 KDM4E (0.42) KDM4ESOS1PDE10APDE4APDE4B
SCHEMBL30493129 0.73 KDM4E (0.42) KDM4ESOS1POLBPDE10APDE4A
SCHEMBL23709202 0.71 ALDH1A1 (0.52) KDM4ESOS1POLBPDE10APDE4A
SCHEMBL14115348 0.70 MAPK1 (0.54) KDM4ESOS1PDE10APDE4APDE4B
SCHEMBL18027461 0.68 PDE4A (0.37) PDE10APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 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

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-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 KDM4E 1183/4885SOS1 2720/4885POLB 4432/4885

“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.