SCHEMBL4051027

SCHEMBL4051027

Cc1ccn(N)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
SIRT3 Q9NTG7 1/20 0.34
PARP1 P09874 3/20 0.32
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
CRBN Q96SW2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1665468 0.78 BRD4 (0.38) MEN1KMT2ATDP1SIRT3PARP1
Hydrochloric Acid SCHEMBL28139132 0.77 BRD4 (0.37) MEN1KMT2ATDP1SIRT3PARP1
SCHEMBL22528182 0.75 ALDH1A1 (0.31) BRD4MAPTL3MBTL1KDM4ELMNA
SCHEMBL15558130 0.74 LMNA (0.36) KMT2ATDP1PARP1CRBNPOLB
SCHEMBL15557889 0.74 PARP1 (0.32) TDP1PARP1CRBNSMN1; SMN2POLB
SCHEMBL3054450 0.71 BRD4 (0.32) TDP1SIRT3PARP1BRD4BRD9
SCHEMBL27944336 0.71 NOTUM (0.50) MEN1KMT2ATDP1PARP1CRBN
SCHEMBL13505675 0.70 HPGD (0.54) KMT2ASMN1; SMN2POLBMAPTHSD17B10
SCHEMBL25024298 0.70 PARP10 (0.35) PARP1PARP10TSHRLMNA
SCHEMBL15558944 0.70 CDK8 (0.33) MEN1KMT2ATDP1PARP1PARP10

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-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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 (2 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MEN1 4062/4885KMT2A 1516/4885TDP1 1236/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MEN1 4062/4885KMT2A 1516/4885TDP1 1236/4885

“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.