SCHEMBL12334148

SCHEMBL12334148

CCc1cccc(C(=O)NCCN2CCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.58
▸ PARP1 P09874 2/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CACNA1G O43497 3/20 0.55
▸ GLA P06280 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ERN1 O75460 1/20 0.55
▸ CYP2C9 P11712 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMYD2 Q9NRG4 1/20 0.54

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
SCHEMBL13675357 0.99 PARP1 (0.58) NPSR1PARP1MEN1KMT2ACACNA1G
SCHEMBL13060642 0.93 ERN1 (0.62) NPSR1PARP1MEN1KMT2ACACNA1G
SCHEMBL13061007 0.92 ERN1 (0.64) NPSR1PARP1MEN1KMT2ACACNA1G
SCHEMBL5476524 0.91 SMYD2 (0.62) PARP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10264071 0.89 CYP2C19 (0.69) PARP1KMT2AERN1CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL2457432 0.86 ALDH1A1 (0.56) NPSR1PARP1CACNA1GERN1CYP2C9
SCHEMBL19634715 0.86 PARP1 (0.58) NPSR1PARP1CACNA1GERN1CYP2C9
SCHEMBL13060850 0.85 SMYD2 (0.67) PARP1MEN1KMT2AL3MBTL1ERN1
SCHEMBL13060855 0.84 CHRM3 (0.57) PARP1ERN1CYP2C9CYP2C19MAPT
SCHEMBL4268373 0.84 MAPT (0.73) NPSR1MEN1KMT2AGLAL3MBTL1

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-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 — — US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 — — 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 NPSR1 4344/4885PARP1 3448/4885MEN1 3595/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 NPSR1 3988/4885PARP1 1707/4885MEN1 3658/4885

“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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