SCHEMBL10240981

SCHEMBL10240981

CN(C)C(=O)N1CCC(c2nc(C3Cc4ccccc4N3)c3c(N)nccn23)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.59
SRC P12931 1/20 0.59
TNK2 Q07912 14/20 0.46
BTK Q06187 4/20 0.45
IGF1R P08069 1/20 0.39

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
SCHEMBL10241497 0.91 RAF1 (0.47) RAF1SRCTNK2BTKIGF1R
SCHEMBL8399399 0.88 RAF1 (0.45) RAF1SRCTNK2BTK
SCHEMBL10242091 0.88 TNK2 (0.51) RAF1SRCTNK2BTKIGF1R
SCHEMBL8400148 0.88 BTK (0.54) RAF1SRCTNK2BTKIGF1R
SCHEMBL10241498 0.88 RAF1 (0.46) RAF1SRCTNK2BTK
SCHEMBL10240965 0.87 TNK2 (0.48) RAF1SRCTNK2BTKIGF1R
SCHEMBL8399662 0.86 TNK2 (0.49) RAF1SRCTNK2BTKIGF1R
SCHEMBL8399681 0.85 BTK (0.44) RAF1SRCTNK2BTKIGF1R
SCHEMBL8401978 0.85 RAF1 (0.47) RAF1SRCTNK2BTKIGF1R
SCHEMBL8400172 0.85 RAF1 (0.43) RAF1SRCTNK2BTK

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-8114846-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-02-14 US disclosed
US-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2010-07-01 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-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS EGFR, ERBB2, RICTOR RAF1 244/4885SRC 12/4885TNK2 10/4885

“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.