SCHEMBL4489649

SCHEMBL4489649

CC(C)(C)c1ccc(-c2cn3cccc(Br)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
ALDH1A1 P00352 7/20 0.52
GAA P10253 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
KDM4E B2RXH2 7/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.48
RECQL P46063 1/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL4506816 0.84 RAB9A (0.56) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL28635183 0.83 NPC1 (0.74) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL973108 0.81 ALDH1A3 (0.70) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL2257062 0.80 NPC1 (0.56) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL2454856 0.80 NPC1 (0.70) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL4486322 0.76 GNRHR (0.60) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL4485699 0.76 RAB9A (0.65) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL4565323 0.75 NPC1 (0.46) NPC1RAB9AALDH1A1GAANFKB1
SCHEMBL21705594 0.75 RAB9A (0.73) NPC1RAB9AALDH1A1GAAKDM4E
SCHEMBL972723 0.73 NPC1 (0.77) NPC1RAB9AALDH1A1GAANFKB1

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-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 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-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR NPC1 3818/4885RAB9A 3912/4885ALDH1A1 4571/4885

“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.