SCHEMBL6469947

SCHEMBL6469947

COc1cc(OC)c2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CCOCC5)ccc4n3)nc(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.41
RAF1 P04049 3/20 0.41
PIK3CA P42336 1/20 0.40
AURKB Q96GD4 1/20 0.39
LCK P06239 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6470906 0.94 HRH3 (0.39) AVPR1BLCKSRCKDRMAPK14
Trifluoroacetic Acid SCHEMBL6469939 0.89 AVPR1B (0.43) AVPR1BRAF1PIK3CAAURKBSIK2
SCHEMBL6469230 0.89 PDK2 (0.37) AVPR1BRAF1AURKBHSD17B10
SCHEMBL6467386 0.87 TDP2 (0.36) HSD17B10
SCHEMBL6470081 0.86 NPSR1 (0.37) HSD17B10
SCHEMBL6467998 0.86 RAF1 (0.43) AVPR1BRAF1SRCKDRSIK2
SCHEMBL6469079 0.85 MCHR1 (0.36) AURKBKDRHSD17B10
SCHEMBL6469154 0.84 KDR (0.40) AVPR1BRAF1KDR
SCHEMBL6469215 0.83 KDR (0.41) AVPR1BKDR
SCHEMBL6467496 0.83 AVPR1B (0.41) AVPR1BRAF1LCKSRCKDR

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 AVPR1B 3769/4885RAF1 2421/4885PIK3CA 1414/4885

“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.