SCHEMBL16635615

SCHEMBL16635615

Nc1cccc(-c2noc(CCl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
TDP1 Q9NUW8 6/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 4/20 0.46
NPC1 O15118 8/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 2/20 0.46
NOTUM Q6P988 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAP4K4 O95819 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
ATAD2 Q6PL18 1/20 0.41

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
SCHEMBL30566758 0.83 RAB9A (0.55) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL1544535 0.83 RAB9A (0.55) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL1544640 0.81 RAB9A (0.68) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL1544310 0.81 NOTUM (0.49) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL1544532 0.81 TP53 (0.52) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL201423 0.80 NOTUM (0.56) RAB9ASMN1; SMN2TDP1MAPK1NPC1
SCHEMBL655414 0.80 NOTUM (0.68) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL29800132 0.78 NPC1 (0.61) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL1545138 0.78 CHRNB2 (0.53) RAB9ASMN1; SMN2TDP1KMT2AMAPK1
SCHEMBL30566776 0.78 S1PR1 (0.57) RAB9ASMN1; SMN2KMT2ANPC1L3MBTL1

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 RAB9A 2431/4885SMN1; SMN2 4004/4885TDP1 1536/4885

“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.