SCHEMBL10189357

SCHEMBL10189357

Nc1ncnn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3cc4ccccc4[nH]3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
RAF1 P04049 2/20 0.50
SRC P12931 2/20 0.50
IGF1R P08069 2/20 0.50
PDPK1 O15530 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
INSR P06213 1/20 0.50
MAP2K1 Q02750 1/20 0.50
RET P07949 2/20 0.49
RIPK2 O43353 1/20 0.49
NQO2 P16083 1/20 0.49
CSNK2A2 P19784 1/20 0.49
FECH P22830 1/20 0.49
ACVR1B P36896 1/20 0.49
TGFBR1 P36897 1/20 0.49
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
MAPK10 P53779 1/20 0.49

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
SCHEMBL6936297 0.85 IGF1R (0.69) KDRRAF1SRCIGF1RPDPK1
SCHEMBL593552 0.83 TNK2 (0.59) KDRRAF1SRCIGF1RPDPK1
SCHEMBL594616 0.82 TNK2 (0.55) KDRRAF1SRCIGF1RPDPK1
SCHEMBL6938946 0.82 RAF1 (0.74) KDRRAF1SRCIGF1RPDPK1
SCHEMBL6942081 0.81 MTOR (0.72) KDRRAF1SRCIGF1RPDPK1
SCHEMBL12708707 0.80 IGF1R (0.65) KDRRAF1SRCIGF1RPDPK1
SCHEMBL15291450 0.79 RAF1 (0.61) KDRRAF1SRCIGF1RPDPK1
SCHEMBL8071440 0.78 RAF1 (0.58) KDRRAF1SRCIGF1RPDPK1
SCHEMBL6940368 0.78 MTOR (0.65) KDRRAF1SRCIGF1RPDPK1
SCHEMBL14536810 0.78 MTOR (0.65) KDRRAF1SRCIGF1RPDPK1

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 4 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-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
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 KDR 532/4885RAF1 244/4885SRC 12/4885

“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.