SCHEMBL18033869

SCHEMBL18033869

CCc1ccn2ncnc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.35
KDR P35968 3/20 0.35
ERBB2 P04626 9/20 0.34
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
P2RX7 Q99572 1/20 0.32
LCK P06239 1/20 0.32
HTT P42858 2/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CTRC Q99895 1/20 0.31
MAP4K4 O95819 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL12883247 0.83 ERBB2 (0.34) EGFRKDRERBB2LCK
SCHEMBL27657505 0.83 AAK1 (0.38) EGFRKDRERBB2LCKHTT
SCHEMBL13847631 0.83 AAK1 (0.38) EGFRKDRERBB2LCKMAP4K4
SCHEMBL1220529 0.83 ERBB2 (0.34) EGFRKDRERBB2LCK
Bromide SCHEMBL1220392 0.82 ERBB2 (0.33) EGFRKDRERBB2LCK
SCHEMBL4552194 0.79 ERBB2 (0.32) EGFRKDRERBB2LCKHTT
SCHEMBL2447086 0.79 ALDH1A1 (0.34) EGFRERBB2HTTKDM4EALDH1A1
SCHEMBL1219495 0.77 EGFR (0.33) EGFRKDRALDH1A1MAP4K4
SCHEMBL14017264 0.77 ERBB2 (0.38) EGFRKDRERBB2LCK
SCHEMBL1219978 0.77 EGFR (0.49) EGFRKDRERBB2FLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 EGFR 2422/4885KDR 1962/4885ERBB2 373/4885

“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.