SCHEMBL16267178

SCHEMBL16267178

Cc1cc(C)c2c(n1)sc1c(N)nn(C(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ IKBKB O14920 2/20 0.48
▸ CHUK O15111 2/20 0.48
▸ PRKACA P17612 2/20 0.48
▸ LIMK1 P53667 2/20 0.48
▸ PRKACG P22612 1/20 0.48
▸ PRKACB P22694 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ CDK2 P24941 1/20 0.47

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
SCHEMBL14794182 0.83 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL14786196 0.80 IKBKB (0.52) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL14794149 0.76 IKBKB (0.46) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL14794456 0.74 IKBKB (0.47) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL16267119 0.72 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL14794458 0.72 IKBKB (0.44) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL16273202 0.71 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL16273198 0.68 CHRM4 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL30968548 0.68 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB
SCHEMBL14399030 0.68 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDIKBKB

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-9056876-B2 Substituted 1H-pyrazolo[3′,4′,4,5]thieno[2,3-b]pyridin-3-amine analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2015-06-16 — — US disclosed
US-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2014-12-04 — — 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-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 KDM4E 1138/4885ALDH1A1 3201/4885SMN1; SMN2 2860/4885

“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.

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