SCHEMBL11980652

SCHEMBL11980652

CNC(=O)N1CC=C(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.54
SRC P12931 2/20 0.54
KDR P35968 3/20 0.51
ABL1 P00519 2/20 0.51
PDPK1 O15530 1/20 0.51
EGFR P00533 1/20 0.51
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
MAP2K1 Q02750 1/20 0.51
TNK2 Q07912 7/20 0.50
RET P07949 2/20 0.47
FGFR1 P11362 1/20 0.47
CDK9 P50750 5/20 0.43
CCNT1 O60563 4/20 0.43
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PIP5K1C O60331 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
SCHEMBL6940080 0.89 RAF1 (0.67) RAF1SRCKDRABL1PDPK1
SCHEMBL11980650 0.87 PIK3CA (0.55) RAF1SRCKDRABL1PDPK1
SCHEMBL11980651 0.86 CCNT1 (0.49) RAF1SRCTNK2RETCDK9
SCHEMBL14536972 0.80 RAF1 (0.79) RAF1SRCKDRABL1PDPK1
SCHEMBL6942526 0.76 PIK3CA (0.55) RAF1SRCKDRABL1PDPK1
SCHEMBL6942533 0.75 RAF1 (0.50) RAF1SRCKDRABL1PDPK1
SCHEMBL8076281 0.72 RAF1 (0.81) RAF1SRCKDRABL1PDPK1
SCHEMBL11980639 0.72 IGF1R (0.73) RAF1SRCKDRABL1PDPK1
SCHEMBL593448 0.72 RAF1 (0.82) RAF1SRCKDRABL1PDPK1
SCHEMBL594970 0.72 RAF1 (0.79) RAF1SRCKDRABL1PDPK1

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-8586546-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) 2013-11-19 US disclosed
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors OSI PHARMACEUTICALS, LLC. 2012-08-16 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-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors EGFR, ERBB2, MTOR RAF1 70/4885SRC 15/4885KDR 112/4885

“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.