SCHEMBL3497338

SCHEMBL3497338

Cc1ccc2nc(C)n(Cc3ccc(-c4nc(CN5CCC[C@@H]5C)co4)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.49
SPHK2 Q9NRA0 1/20 0.44
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 6/20 0.41
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 8/20 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
SCHEMBL3497325 0.93 KMT2A (0.43) SPHK1SPHK2KMT2AKCNH2BRD4
SCHEMBL3497807 0.85 KCNH2 (0.54) SPHK1SPHK2KCNH2BRD4HRH3
SCHEMBL3496123 0.85 KMT2A (0.41) KMT2AKCNH2BRD4HRH3
SCHEMBL3497633 0.84 KCNH2 (0.53) SPHK1SPHK2KCNH2BRD4HRH3
SCHEMBL23644638 0.82 KMT2A (0.57) KMT2AHRH3
SCHEMBL3497690 0.81 BRD4 (0.41) KMT2AKCNH2BRD4HRH3
SCHEMBL3496759 0.80 TP53 (0.51) SPHK1HRH3
SCHEMBL3497905 0.80 TP53 (0.51) SPHK1HRH3
SCHEMBL3496553 0.78 DRD2 (0.47) KCNH2BRD4HRH3
SCHEMBL3497802 0.77 ADAMTS4 (0.40) KCNH2HRH3

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-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 SPHK1 533/4885SPHK2 480/4885KMT2A 1090/4885

“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.