SCHEMBL6468024

SCHEMBL6468024

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CCOC(CO)C5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
EPHA2 P29317 11/20 0.37
KDR P35968 9/20 0.37
EPHB4 P54760 6/20 0.37
ERBB2 P04626 3/20 0.37
CCR4 P51679 1/20 0.37
RAF1 P04049 4/20 0.37
AVPR1B P47901 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
Trifluoroacetic Acid SCHEMBL6468017 0.90 HSD17B10 (0.40) HSD17B10KDM4ETSHREPHA2KDR
SCHEMBL6467103 0.87 RAF1 (0.38) HSD17B10KDM4ERAF1AVPR1B
SCHEMBL6470132 0.87 PDK1 (0.39) RAF1AVPR1B
SCHEMBL6469154 0.87 KDR (0.40) KDRRAF1AVPR1B
SCHEMBL6469963 0.87 MEN1 (0.41) HSD17B10KDM4ERAF1
SCHEMBL6467496 0.86 AVPR1B (0.41) KDM4EKDRRAF1AVPR1B
SCHEMBL6469215 0.86 KDR (0.41) KDRAVPR1B
SCHEMBL6469285 0.86 HRH3 (0.36) HSD17B10KDM4ETSHRCCR4RAF1
SCHEMBL6468687 0.83 EHMT2 (0.43) KDRAVPR1B
SCHEMBL6470950 0.83 RET (0.40)

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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO 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 HSD17B10 2865/4885KDM4E 3225/4885TSHR 4668/4885

“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.