SCHEMBL4466673

SCHEMBL4466673

CC(C)(C)c1ccc(-c2nc3nccc(N4CCNCC4)c3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
HTR1A P08908 2/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR6 P50406 1/20 0.42
GNRHR P30968 9/20 0.42
WNT1 P04628 2/20 0.42
PRMT5 O14744 1/20 0.41
BTK Q06187 1/20 0.41
TACR2 P21452 1/20 0.41
HRH2 P25021 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTR3A P46098 1/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL4474514 0.82 GNRHR (0.47) HTR1AHTR1DHTR1BHTR6GNRHR
SCHEMBL13324655 0.80 HDAC6 (0.50) HTR1AGNRHRTACR2HRH2OPRM1
SCHEMBL4468341 0.79 PRKCI (0.47) AURKAHTR1AHTR1DHTR1BHTR6
SCHEMBL3274724 0.75 GNRHR (0.70) GNRHR
SCHEMBL21705380 0.66 AURKA (0.65) AURKAPRMT5HDAC6
SCHEMBL31063805 0.66 AURKA (0.65) AURKAPRMT5HDAC6
SCHEMBL4558382 0.66 NCF1 (0.49) HTR6ADRB2NCF1
SCHEMBL4470282 0.64 HDAC6 (0.51) AURKAHDAC6
SCHEMBL270283 0.64 ADRB1 (0.62) HTR1AHTR6HTR3AADRB2NCF1
SCHEMBL6862878 0.64 HTR6 (0.51) HTR1AHTR1DHTR1BHTR6HTR3A

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-7534796-B2 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-19 US disclosed
US-20060189617-A1 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-08-24 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-20060189617-A1 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR AURKA 1768/4885HTR1A 310/4885HTR1D 367/4885

“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.