SCHEMBL16636075

SCHEMBL16636075

Nc1cccc(-c2nc(-c3ccccc3)no2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.67
SMN1; SMN2 Q16637 8/20 0.63
TP53 P04637 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 1/20 0.63
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
NFKB1 P19838 4/20 0.60
NFKB2 Q00653 4/20 0.60
RELA Q04206 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
NOTUM Q6P988 1/20 0.58
MECP2 P51608 1/20 0.57
PKM P14618 1/20 0.55
GPR55 Q9Y2T6 1/20 0.54
MAPT P10636 5/20 0.54

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
SCHEMBL13415309 0.87 NR1H4 (0.80) NR1H4SMN1; SMN2TP53MEN1KMT2A
SCHEMBL13415321 0.84 TP53 (0.60) NR1H4SMN1; SMN2TP53MEN1KMT2A
SCHEMBL1423272 0.83 CHRNB2 (0.71) SMN1; SMN2TP53MEN1HSD17B10KDM4E
SCHEMBL11323465 0.82 NR1H4 (0.78) NR1H4SMN1; SMN2TP53MEN1KMT2A
SCHEMBL16592554 0.82 NR1H4 (0.78) NR1H4SMN1; SMN2TP53MEN1KMT2A
SCHEMBL5150510 0.82 NPC1 (0.47) NR1H4SMN1; SMN2TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL2273713 0.82 CHRNB2 (0.69) SMN1; SMN2TP53MEN1HSD17B10KDM4E
SCHEMBL12895776 0.81 NR1H4 (0.83) NR1H4SMN1; SMN2TP53MEN1KMT2A
SCHEMBL1473020 0.81 NR1H4 (1.00) NR1H4SMN1; SMN2TP53MEN1KMT2A
SCHEMBL2807348 0.81 RAB9A (0.79) NR1H4SMN1; SMN2TP53MEN1KMT2A

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 NR1H4 4527/4885SMN1; SMN2 4004/4885TP53 1251/4885

“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.