SCHEMBL6749949

SCHEMBL6749949

CSc1ncc(CO)n1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 5/20 0.57
POLB P06746 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.41
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL3764283 0.81 ALDH1A1 (0.62) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL14028404 0.74 RAB9A (1.00) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL21447625 0.73 KMT2A (0.51) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL859147 0.72
SCHEMBL25239515 0.71
SCHEMBL3763823 0.71
SCHEMBL13059104 0.71
SCHEMBL15474117 0.70
SCHEMBL10288448 0.69 CYP2C19 (0.44) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL2823812 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62030764-A None JP disclosed
JP-62030766-A None JP disclosed
JP-62030768-A None JP disclosed
JP-62030767-A None JP disclosed
JP-62030765-A None JP disclosed
JP-62030777-A None JP disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
JP-S6230768-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP disclosed
JP-S6230767-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP disclosed
JP-S6230764-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP disclosed
JP-S6230766-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP disclosed
JP-S6230765-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP disclosed
JP-S6230777-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP disclosed
JP-S06230777-A 0001-01-01 JP 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 NPC1 2780/4885RAB9A 2089/4885ALDH1A1 939/4885

“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.