SCHEMBL9967394

SCHEMBL9967394

Cc1cccc(C(=O)Nc2ccc(C)c(Nc3nn(C)cc3-c3cc(NCCN4CCOCC4)ncn3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.53
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
LCK P06239 4/20 0.49
INSR P06213 3/20 0.49
LYN P07948 3/20 0.49
SRC P12931 3/20 0.49
KDR P35968 3/20 0.49
BRAF P15056 3/20 0.49
HCK P08631 2/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45

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
SCHEMBL9967393 0.93 INSR (0.57) MAPK14LCKINSRLYNSRC
SCHEMBL3588959 0.91 LCK (0.59) MAPK14LCKINSRLYNSRC
SCHEMBL9967391 0.87 MAPK14 (0.52) MAPK14CYP1A2TSHRCYP3A4LCK
SCHEMBL3596597 0.84 KDR (0.66) MAPK14LCKINSRLYNSRC
SCHEMBL9967392 0.82 KDR (0.47) MAPK14LCKINSRLYNSRC
SCHEMBL13898096 0.82 MAPK14 (0.52) MAPK14CYP1A2TSHRCYP3A4LCK
SCHEMBL9967441 0.82 MAPK14 (0.54) MAPK14CYP1A2TSHRCYP3A4LCK
SCHEMBL9967406 0.82 MAPK14 (0.56) MAPK14LCKINSRLYNSRC
SCHEMBL3829904 0.82 KDR (0.65) MAPK14LCKINSRLYNSRC
SCHEMBL3825078 0.81 LCK (0.60) MAPK14LCKINSRLYNSRC

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK MAPK14 337/4885CYP1A2 4008/4885TSHR 2134/4885

“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.