SCHEMBL14595283

SCHEMBL14595283

COc1cc(C)cc2cncnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
ACHE P22303 2/20 0.41
FGFR4 P22455 1/20 0.39
HPGDS O60760 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CRHR1 P34998 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP17A1 P05093 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL29805013 0.81 FGFR4 (0.40) EGFRFGFR4ALDH1A1CRHR1PDGFRB
SCHEMBL19878479 0.81 NQO2 (0.45) EGFRFGFR4HPGDSALDH1A1
SCHEMBL23904743 0.79 CCR1 (0.52) ACHEHPGDSALDH1A1CRHR1CCR1
SCHEMBL23717026 0.78 EGFR (0.38) EGFRFGFR4HPGDSALDH1A1CRHR1
SCHEMBL8404389 0.77 CCR1 (0.39) EGFRALDH1A1CCR1CCR5CCR8
SCHEMBL19878211 0.76 PDGFRB (0.52) EGFRFGFR4ALDH1A1PDGFRBPDGFRA
SCHEMBL23905551 0.76 CA12 (0.49) HPGDSPDGFRBPDGFRATSHR
SCHEMBL19878485 0.76 PDGFRB (0.50) EGFRFGFR4ALDH1A1PDGFRBPDGFRA
SCHEMBL23905238 0.75 HASPIN (0.43) EGFRACHEALDH1A1CRHR1CCR1
SCHEMBL8871968 0.75 PDE5A (0.50) EGFRFGFR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS EGFR 255/4885ACHE 4806/4885FGFR4 930/4885

“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.