SCHEMBL896599

SCHEMBL896599

O=C(Nc1ccc(F)nc1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 4/20 0.56
RAD51 Q06609 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
GFER P55789 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FAAH O00519 8/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL896314 0.83 KCNQ3 (0.64) ALDH1A1MAPTRAD51MEN1KMT2A
Phenyl 4-Fluorophenylcarbamate SCHEMBL1892132 0.82 ALDH1A1 (0.70) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL1013306 0.82 ALDH1A1 (0.60) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL29644563 0.82 ALDH1A1 (0.60) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL31728525 0.82 ALDH1A1 (0.56) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL1010493 0.82 ALDH1A1 (0.56) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL30782657 0.81 ALDH1A1 (0.52) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL15925956 0.81 ALDH1A1 (0.52) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL29739364 0.81 FAAH (0.52) ALDH1A1MAPTRAD51MEN1KMT2A
SCHEMBL3559961 0.81 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AFAAH

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
CN-107108593-B Substituted oxazole and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II 美迪福伦DBT有限公司 2020-03-24 CN disclosed
US-8212031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 US disclosed
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20110003821-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2262806-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-22 EP disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
EP-2134716-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-23 EP disclosed
WO-2009111531-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-11 WO disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 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 (3 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-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, LCK, MAP3K15 ALDH1A1 3201/4885MAPT 98/4885RAD51 4810/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH ALDH1A1 709/4885MAPT 1489/4885RAD51 2062/4885
US-20110003821-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, MAP3K15, MAP4K2 ALDH1A1 3701/4885MAPT 2230/4885RAD51 4715/4885

“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.