SCHEMBL16635585

SCHEMBL16635585

Nc1cc(O)cc(-c2ncco2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
LTA4H P09960 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
HDAC4 P56524 1/20 0.34
CFTR P13569 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.31
TRPM4 Q8TD43 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30

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
SCHEMBL16412233 0.79 MAP4K4 (0.39) HPGDSGLRA3GLRBLTA4HHDAC4
SCHEMBL3940103 0.77 GLRA3 (0.46) HPGDSGLRA3GLRBLTA4HHDAC4
SCHEMBL764967 0.73 HPGDS (0.50) HPGDSLTA4HPIK3CA
SCHEMBL30302065 0.73 HPGDS (0.50) HPGDSLTA4HPIK3CA
SCHEMBL3846030 0.73 MECP2 (0.51) HPGDSLTA4H
SCHEMBL29433360 0.73 MECP2 (0.51) HPGDSLTA4H
SCHEMBL2527622 0.72 GLRA3 (0.68) GLRA3GLRBLTA4HHDAC4CFTR
SCHEMBL18732095 0.72 LTA4H (0.39) HPGDSGLRA3GLRBLTA4HHDAC4
Hydrochloric Acid SCHEMBL30555492 0.71 HPGDS (0.41) HPGDSGLRA3GLRBLTA4HHDAC4
SCHEMBL2025419 0.71 LTA4H (0.55) HPGDSLTA4HHDAC4BRD4CHRNA7

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 HPGDS 2009/4885GLRA3 2647/4885GLRB 3867/4885

“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.