SCHEMBL7126665

SCHEMBL7126665

C=C(C(=O)O)c1ccc2c(Nc3ccc4nc[nH]c4c3)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
RIPK2 O43353 1/20 0.48
FBP1 P09467 1/20 0.46
EPHB2 P29323 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CDK1 P06493 3/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 3/20 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
SCHEMBL7128560 0.93 RAF1 (0.54) RAF1BRAFRIPK2FBP1EPHB2
SCHEMBL7126655 0.92 FBP1 (0.46) RAF1BRAFRIPK2FBP1EPHB2
SCHEMBL7128555 0.85 EGFR (0.47) RAF1BRAFRIPK2FBP1EPHB2
SCHEMBL7127858 0.82 EGFR (0.58) EGFRKDR
SCHEMBL7241072 0.77 KDR (0.61) RIPK2EPHB2RAB9AEGFRKDR
SCHEMBL7127189 0.76 EGFR (0.66) EGFRKDR
SCHEMBL7237990 0.74 EGFR (0.44) EGFRKDRSUV39H1PRMT1
SCHEMBL7241721 0.73 EGFR (0.64) KMT2AEGFRKDR
SCHEMBL8486257 0.72 RAF1 (0.55) RAF1BRAFRIPK2EGFR
SCHEMBL7234799 0.71 CSNK2A1 (0.40) ALDH1A1EGFRKDRSUV39H1PRMT1

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-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK RAF1 103/4885BRAF 32/4885RIPK2 267/4885

“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.