SCHEMBL1874547

SCHEMBL1874547

c1ccc2c(c1)sc1c[nH]nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.50
▸ LIMK1 P53667 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ MAPT P10636 6/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL9780135 0.71 GPR3 (0.43) GPR3LIMK1CDK5CDK5R1MAPT
Dibenzothiophene SCHEMBL13294 0.69 GPR3 (1.00) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL30167635 0.69 GPR3 (1.00) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL14659543 0.69 GPR3 (1.00) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL3101419 0.67 GPR3 (0.93) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL21121001 0.67 GPR3 (0.93) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL28979045 0.67 GPR3 (0.93) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL3101427 0.67 GPR3 (0.93) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL10943387 0.67 GPR3 (0.93) GPR3LIMK1MAPTALDH1A1RAB9A
Dibenzothiophene SCHEMBL9934048 0.67 GPR3 (0.93) GPR3LIMK1MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 — — US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 — — US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 — — US disclosed
EP-2152669-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF Cephalon, Inc. (US) 2010-02-17 — — EP disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 — — WO disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 — — US disclosed
US-4431657-A Analgesic compositions consisting of 2H-benzothieno[3,2-c]pyrazol-3-amine derivatives AYERST, MCKENNA & HARRISON INC. (CA) 1984-02-14 — — US disclosed
US-4420476-A Benzofuro[3,2-c]pyrazol-3-amine derivatives Averst McKenna & Harrison, Inc. (CA) 1983-12-13 — — 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-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 GPR3 258/4885LIMK1 4389/4885CDK5 1064/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 GPR3 15/4885LIMK1 3998/4885CDK5 1397/4885

“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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