SCHEMBL2211405

SCHEMBL2211405

Nc1nc(NCc2cccc(F)c2)c2c(-c3cc(C4CC4)[nH]n3)ccn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
CDK9 P50750 12/20 0.39
HRH4 Q9H3N8 1/20 0.37
CCNT1 O60563 5/20 0.37
NTRK1 P04629 1/20 0.36
PDE2A O00408 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL2207390 0.90 NTRK1 (0.44) APPCDK9HRH4CCNT1NTRK1
SCHEMBL2208325 0.89 APP (0.42) APPHRH4NTRK1PDE2ACSF1R
SCHEMBL2211032 0.87 IGF1R (0.48) APPCDK9CCNT1NTRK1PDE2A
SCHEMBL2211885 0.86 NTRK1 (0.40) CDK9CCNT1NTRK1PDE2AIGF1R
SCHEMBL2210651 0.84 IGF1R (0.42) APPHRH4NTRK1KDRIGF1R
SCHEMBL2212445 0.82 IGF1R (0.46) APPCDK9HRH4NTRK1PDE2A
SCHEMBL2210092 0.82 IGF1R (0.37) HRH4NTRK1PDE2AIGF1R
SCHEMBL2210309 0.79 SMN1; SMN2 (0.41) ROCK1
SCHEMBL2512128 0.79 SMN1; SMN2 (0.34) ROCK1IGF1R
SCHEMBL2243249 0.78 MAT2A (0.37) HRH4DAPK3MAPK14IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US claimed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US claimed
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (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-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 APP 3181/4885CDK9 673/4885HRH4 3373/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 APP 3181/4885CDK9 673/4885HRH4 3373/4885

“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.