SCHEMBL5440941

SCHEMBL5440941

Oc1cccc(-c2cccc3c(Nc4ccc5nc[nH]c5c4)nccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
RAF1 P04049 4/20 0.45
QPCT Q16769 2/20 0.44
QPCTL Q9NXS2 1/20 0.44
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
PRKCI P41743 1/20 0.44
CDC7 O00311 1/20 0.43
CDK1 P06493 4/20 0.42
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL5440933 0.92 CDC7 (0.43) BRAFRAF1QPCTQPCTLPRKCI
SCHEMBL5437478 0.81 ABCG2 (0.48) BRAFRAF1CDC7GLAHTT
SCHEMBL5486318 0.80 LRRK2 (0.40) BRAFRAF1TTBK1TTBK2
SCHEMBL5450861 0.79 ABCG2 (0.53) BRAFRAF1CDC7GLAHTT
SCHEMBL5450874 0.79 LRRK2 (0.46) BRAFRAF1GLAHTTPIK3CD
SCHEMBL5448685 0.78 BRAF (0.49) BRAFRAF1CDC7GLAHTT
SCHEMBL5450776 0.76 EPHX2 (0.52) BRAFABCG2
SCHEMBL5440617 0.75 FYN (0.51) BRAFRAF1TP53MAPTRAB9A
SCHEMBL5442716 0.75 ABCG2 (0.59) BRAFRAF1HTTABCG2RAB9A
SCHEMBL5449527 0.75 BRAF (0.46) BRAFRAF1GLAHTTPIK3CD

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-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 GLAXO GROUP LIMITED (GB) 2007-03-29 US claimed
US-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 GLAXO GROUP LIMITED (GB) 2007-03-29 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-20070072901-A1 1-Amino-isoquinoline derivatives for the treatment of diseases associated with inappropriate alk5 ALK, NPR3, CBR3 BRAF 1718/4885RAF1 1644/4885QPCT 1665/4885

“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.