SCHEMBL3932948

SCHEMBL3932948

Cc1cc(Nc2nc(N3CCc4ccccc43)nc3cccn23)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
CASP1 P29466 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL15485333 0.82 ROCK2 (0.37) ALDH1A1MAPTKDM4EKMT2APIK3CA
SCHEMBL1722967 0.79 JAK2 (0.42) JAK2ALDH1A1CASP1KDM4EKMT2A
SCHEMBL3933859 0.74 NUDT1 (0.39) MAPTKDM4EROCK1TDP1
SCHEMBL3920946 0.74 KMT2A (0.33) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL3926831 0.74 NUDT1 (0.36) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL1710850 0.73 JAK2 (0.49) JAK2SMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL3931669 0.72 NAPEPLD (0.39) ROCK1
SCHEMBL3922462 0.72 PAK4 (0.31) LMNAMTORROCK1
SCHEMBL3937697 0.71 ACVR1 (0.41)
SCHEMBL3925912 0.71 PDE9A (0.34) ALDH1A1NPC1RAB9AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 JAK2 1/4885JAK3 4/4885PTK2 349/4885

“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.