SCHEMBL6468680

SCHEMBL6468680

COc1cc2c(C)nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(F)c4n3)nc2c(OC)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 1/20 0.35
TACR3 P29371 1/20 0.34
BCHE P06276 2/20 0.33
KRAS P01116 2/20 0.33
POLB P06746 2/20 0.33
APP P05067 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
ADORA2A P29274 2/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
SYK P43405 1/20 0.32
PTK2 Q05397 2/20 0.32
GRM4 Q14833 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL6467457 0.93 ALDH1A1 (0.36) BCHEPOLBAPPMAOAACHE
SCHEMBL6467193 0.88 ABCG2 (0.40) POLBGAAKMT2AMAPTNPSR1
SCHEMBL6470314 0.88 POLB (0.37) CXCR6TACR3POLBGAAADORA2A
SCHEMBL6470356 0.88 POLB (0.33) POLBGAAADORA2AADORA1KMT2A
SCHEMBL6468693 0.85 ADORA2A (0.38) POLBGAAADORA2AKMT2A
Trifluoroacetic Acid SCHEMBL6468675 0.85 TACR3 (0.38) TACR3BCHEKRASPOLBAPP
SCHEMBL6470326 0.83 POLB (0.37) POLBGAAADORA2AKMT2A
SCHEMBL6466280 0.82 KMT2A (0.37) POLBGAAADORA2AKMT2AMAPT
SCHEMBL6467060 0.81 TDP2 (0.43) POLBKMT2AMAPTLMNAHTT
SCHEMBL6470556 0.79 POLB (0.42) POLBGAAKMT2AMAPTMAPK1

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 CXCR6 4185/4885TACR3 4538/4885BCHE 404/4885

“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.