SCHEMBL6470132

SCHEMBL6470132

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CCN(CCO)CC5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
RAF1 P04049 6/20 0.39
BRAF P15056 2/20 0.39
AURKA O14965 1/20 0.37
DRD3 P35462 2/20 0.37
MCHR1 Q99705 1/20 0.37
PPARG P37231 1/20 0.37
AVPR1B P47901 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HTR2A P28223 1/20 0.36
RET P07949 1/20 0.35
SCN5A Q14524 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
SCHEMBL6467496 0.95 AVPR1B (0.41) RAF1BRAFAURKADRD3PPARG
SCHEMBL6469154 0.94 KDR (0.40) RAF1AVPR1BRET
SCHEMBL6469215 0.93 KDR (0.41) AVPR1BACHERET
SCHEMBL6468687 0.90 EHMT2 (0.43) AVPR1B
SCHEMBL6467467 0.90 TDP2 (0.38) AURKAMCHR1
Trifluoroacetic Acid SCHEMBL6470128 0.89 PDK1 (0.41) PDK1PDK2RAF1BRAFAURKA
SCHEMBL6467103 0.89 RAF1 (0.38) PDK2RAF1BRAFMCHR1AVPR1B
SCHEMBL6469963 0.88 MEN1 (0.41) RAF1
SCHEMBL6469285 0.87 HRH3 (0.36) RAF1BRAFAVPR1BRET
SCHEMBL6469208 0.87 TDP2 (0.35) RAF1AURKA

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 PDK1 2784/4885PDK2 1267/4885RAF1 2421/4885

“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.