SCHEMBL16636349

SCHEMBL16636349

CC(C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
MAPT P10636 5/20 0.68
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 1/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CA13 Q8N1Q1 2/20 0.57
PSMB8 P28062 1/20 0.52
LMNA P02545 1/20 0.52
GUSB P08236 1/20 0.50
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
ELANE P08246 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9029579 0.87 NPC1 (0.69) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4607599 0.81 RAB9A (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10245542 0.81 NPC1 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12204823 0.80 NPC1 (0.53) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12306754 0.80 AAK1 (0.50) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7531870 0.79 NPC1 (0.78) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2837185 0.78 RAB9A (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29006444 0.78 NPC1 (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL28372775 0.78 NPC1 (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30362152 0.78 NPC1 (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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
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-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

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 NPC1 3478/4885RAB9A 2431/4885MAPT 1664/4885

“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.