SCHEMBL14770748

SCHEMBL14770748

CCOC(=O)c1ncnc(NCc2c(OC)cc(C)cc2OC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 7/20 0.42
KDR P35968 2/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37

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
SCHEMBL13472447 0.92 MAPT (0.43) PDE11AKDRMAPTTP53LMNA
SCHEMBL14770752 0.87 MAPT (0.40) PDE11AKDRMAPTTP53LMNA
SCHEMBL13472457 0.79 MAPT (0.43) PDE11AMAPTTP53LMNAGABRA1
SCHEMBL13472306 0.76 KDM4E (0.45) MAPTTP53LMNAMEN1KMT2A
SCHEMBL14770749 0.76 EGFR (0.38) MAPTTP53LMNAMEN1KMT2A
SCHEMBL20573702 0.75 LMNA (0.39) MAPTTP53LMNAMEN1KMT2A
SCHEMBL12590747 0.72 KDR (0.40) PDE11AKDRMAPTEGFR
SCHEMBL13199821 0.71 HSD17B10 (0.41) PDE11AKDRMAPTTP53LMNA
SCHEMBL13472307 0.69 KDM5B (0.48) MAPTTP53LMNAKMT2A
SCHEMBL13472328 0.68 MAP4K4 (0.55) MAPTTP53LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 US disclosed
US-9556177-B2 Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS XOMA (US) LLC 2015-03-19 US disclosed
US-8802657-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-03-14 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 (3 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-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF PDE11A 3592/4885KDR 1384/4885MAPT 3659/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDE11A 3592/4885KDR 1384/4885MAPT 3659/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDE11A 3592/4885KDR 1384/4885MAPT 3659/4885

“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.