SCHEMBL4248238

SCHEMBL4248238

Oc1cccc2c1CCCN2c1ccnc(Nc2cccc(OCCn3ccnc3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.56
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
SRC P12931 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCD Q05655 1/20 0.56
TBXAS1 P24557 3/20 0.44
ITK Q08881 3/20 0.43
AIMP2 Q13155 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
JAK3 P52333 1/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL4245472 0.86 AIMP2 (0.42) EGFRABL1BCRSRCPRKCA
SCHEMBL13911389 0.78 ROCK1 (0.44) PRKCD
SCHEMBL4248784 0.78 KDR (0.48) EGFRSRC
SCHEMBL4660744 0.77 CDK2 (0.48) ABL1BCRPRKCAPRKCD
SCHEMBL27760699 0.74 ROCK1 (0.38) JAK3
SCHEMBL4245377 0.73 RET (0.39) JAK3
SCHEMBL4244620 0.73 PTK2 (0.52) ABL1JAK3
SCHEMBL6265857 0.72 ABL1 (1.00) EGFRABL1BCRSRCPRKCA
SCHEMBL4252261 0.72 CCNT1 (0.50)
SCHEMBL4247112 0.72 IKBKB (0.43) JAK3

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-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 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-20090069360-A1 Organic Compounds BRAF, MAP3K1, RAF1 EGFR 169/4885ABL1 279/4885BCR 603/4885

“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.