SCHEMBL16635979

SCHEMBL16635979

CC(C)c1nc(-c2cc(N)cc(O)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.48
HTT P42858 1/20 0.41
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 1/20 0.34
ACACB O00763 4/20 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
SCHEMBL16636696 0.82 HTT (0.41) AAK1HTTDPP4DPP7KDM4E
SCHEMBL16635547 0.82 DPP4 (0.47) AAK1HTTDPP4DPP7KDM4E
SCHEMBL16636789 0.79 AAK1 (0.49) AAK1HTTPPARDPPARAKDM4E
SCHEMBL16515604 0.77 AAK1 (0.49) AAK1HTTDPP4DPP7KDM4E
SCHEMBL6112891 0.76 PPARD (0.56) AAK1HTTPPARDPPARAKDM4E
SCHEMBL5314933 0.76 HTT (0.50) HTTPPARDPPARAKDM4EALDH1A1
SCHEMBL16635838 0.75 HTT (0.47) AAK1HTTPPARDPPARADPP4
SCHEMBL17712654 0.73 HTT (0.44) AAK1HTTPPARDPPARADPP4
SCHEMBL21805186 0.71 S1PR1 (0.54) AAK1HTTKDM4EALDH1A1MAPT
SCHEMBL16636215 0.69 HTT (0.47) AAK1HTTDPP4DPP7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
EP-3054955-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-08-17 EP disclosed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 WO disclosed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 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 (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-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS AAK1, DAPK2, DAPK1 AAK1 1/4885HTT 2977/4885PPARD 4289/4885

“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.