SCHEMBL3604808

SCHEMBL3604808

O=c1[nH]ncc2cc(-c3ccc(C(F)(F)F)cc3)sc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
STK17B O94768 1/20 0.40
KCNH2 Q12809 5/20 0.39
PDPK1 O15530 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 1/20 0.39
AKT1 P31749 2/20 0.39
RAB9A P51151 1/20 0.38
COMT P21964 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL1144530 0.82 RAB9A (0.50) RAB9ANOTUM
SCHEMBL3601787 0.78 NPC1 (0.54) PDPK1RAB9A
SCHEMBL27723246 0.72 STK17B (0.42) STK17BKCNH2CHRM1CHRM3COMT
SCHEMBL24076262 0.69 METAP2 (0.56) METAP2MKNK1MKNK2CDC7
SCHEMBL29655093 0.69 METAP2 (0.56) METAP2MKNK1MKNK2CDC7
SCHEMBL23013725 0.69 METAP2 (0.60) METAP2MKNK1MKNK2CDC7AKT1
SCHEMBL1722753 0.67 KIF11 (0.46) METAP2MKNK1MKNK2KCNH2COMT
SCHEMBL23555696 0.66 KIF11 (0.45)
SCHEMBL30334708 0.66 NOS1 (0.39) METAP2MKNK1CDC7DBF4RAB9A
SCHEMBL19922226 0.66 CLK1 (0.68) METAP2MKNK1MKNK2CDC7AKT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20050256124-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-11-17 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 (2 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP METAP2 2663/4885MKNK1 861/4885MKNK2 999/4885
US-20050256124-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R METAP2 1885/4885MKNK1 3292/4885MKNK2 3523/4885

“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.