SCHEMBL6470950

SCHEMBL6470950

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CCCC5CO)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.40
KIF5B P33176 2/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 2/20 0.38
AURKA O14965 11/20 0.38
AURKB Q96GD4 3/20 0.37
RPS6KB1 P23443 1/20 0.35
WHR1 P49842 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL6469177 0.98 RET (0.38) RETKIF5BCYP3A4CYP2D6KCNH2
SCHEMBL6469454 0.93 FGFR4 (0.38) RETKIF5BWHR1EHMT2HRH3
SCHEMBL6469079 0.91 MCHR1 (0.36) RETKIF5BCYP3A4CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL6470948 0.89 RET (0.42) RETKIF5BCYP3A4CYP2D6KCNH2
SCHEMBL6469154 0.87 KDR (0.40) RETEHMT2HRH3
Trifluoroacetic Acid SCHEMBL6469172 0.87 RET (0.40) RETKIF5BCYP3A4CYP2D6KCNH2
SCHEMBL6469215 0.87 KDR (0.41) RETEHMT2
SCHEMBL6469285 0.86 HRH3 (0.36) RETKIF5BWHR1EHMT2HRH3
SCHEMBL6470132 0.86 PDK1 (0.39) RETMCHR1AURKA
SCHEMBL6467496 0.85 AVPR1B (0.41) RETAURKA

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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB RET 4244/4885KIF5B 2609/4885CYP3A4 1008/4885

“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.