SCHEMBL10165838

SCHEMBL10165838

Cc1sc(-c2ccccc2)nc1CC(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3537226 0.85 PTGDR2 (0.56) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL10110136 0.84 RARA (0.51) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL4919965 0.82 HPGD (0.53) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL5105903 0.80 GAA (0.64) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL6702417 0.78 GAA (0.61) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL4034919 0.77 RARA (0.49) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL13851715 0.75 SLC6A3 (0.39) GAANPC1RAB9ACYP1A2
SCHEMBL4462240 0.75 KDM4E (0.57) ALDH1A1MAPTGAAPTGDR2KDM4E
SCHEMBL1436076 0.74 RARA (0.50) RARARARBRARGSMN1; SMN2ALDH1A1
SCHEMBL1732966 0.73 HRH3 (0.46) RARARARBRARGSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 RARA 2106/4885RARB 2074/4885RARG 2635/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 RARA 2106/4885RARB 2074/4885RARG 2635/4885

“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.