SCHEMBL6470906

SCHEMBL6470906

COc1cc(OC)c2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCN5CCCC5)ccc4n3)nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
SRC P12931 5/20 0.39
KDR P35968 2/20 0.39
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
AVPR1B P47901 5/20 0.39
KCNH2 Q12809 1/20 0.38
TERT O14746 1/20 0.37
YES1 P07947 1/20 0.37
EPHB4 P54760 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL6469947 0.94 AVPR1B (0.41) SRCKDRLCKMAPK14AVPR1B
SCHEMBL6469154 0.90 KDR (0.40) HRH3KDRAVPR1B
SCHEMBL6469230 0.90 PDK2 (0.37) HRH3AVPR1BKCNH2
SCHEMBL6469215 0.90 KDR (0.41) KDRAVPR1B
Trifluoroacetic Acid SCHEMBL6470902 0.89 HRH3 (0.42) HRH3SRCKDRLCKMAPK14
SCHEMBL6467386 0.89 TDP2 (0.36)
SCHEMBL6470081 0.88 NPSR1 (0.37)
SCHEMBL6469079 0.88 MCHR1 (0.36) HRH3KDRKCNH2
SCHEMBL6468687 0.87 EHMT2 (0.43) HRH3KDRAVPR1BKCNH2
SCHEMBL6466094 0.85 KDM4E (0.35)

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 HRH3 638/4885SRC 4282/4885KDR 4703/4885

“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.