SCHEMBL397000

SCHEMBL397000

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.66
TLK2 Q86UE8 5/20 0.59
JAK3 P52333 1/20 0.59
NTRK1 P04629 7/20 0.57
NTRK3 Q16288 2/20 0.57
PDPK1 O15530 2/20 0.53
FLT3 P36888 3/20 0.52
NTRK2 Q16620 2/20 0.52
AKT2 P31751 1/20 0.51
PDK1 Q15118 1/20 0.51
PDGFRB P09619 3/20 0.51
ABL1 P00519 2/20 0.51
CSF1R P07333 2/20 0.51
LYN P07948 2/20 0.51
FGR P09769 2/20 0.51
KIT P10721 2/20 0.51
SRC P12931 2/20 0.51
FLT1 P17948 2/20 0.51
JAK2 O60674 1/20 0.51
INSR P06213 1/20 0.51

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
SCHEMBL398698 1.00 RET (0.66) RETTLK2JAK3NTRK1NTRK3
SCHEMBL395558 0.95 NTRK1 (0.64) RETTLK2JAK3NTRK1NTRK3
SCHEMBL395559 0.95 NTRK1 (0.64) RETTLK2JAK3NTRK1NTRK3
SCHEMBL397413 0.91 RET (0.65) RETTLK2JAK3NTRK1NTRK3
SCHEMBL397412 0.91 RET (0.65) RETTLK2JAK3NTRK1NTRK3
SCHEMBL10091893 0.90 RET (0.60) RETTLK2JAK3NTRK1NTRK3
SCHEMBL394159 0.90 RET (0.60) RETTLK2JAK3NTRK1NTRK3
SCHEMBL394476 0.89 RET (0.55) RETTLK2JAK3NTRK1NTRK3
SCHEMBL394475 0.89 RET (0.55) RETTLK2JAK3NTRK1NTRK3
SCHEMBL396264 0.89 RET (0.58) RETNTRK1NTRK3FLT3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B RET 5/4885TLK2 181/4885JAK3 261/4885

“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.