SCHEMBL3435728

SCHEMBL3435728

CCOC(=O)c1csc(-c2ccncn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 6/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HSP90AA1 P07900 2/20 0.47
CLK1 P49759 1/20 0.47
CYP1A2 P05177 2/20 0.47
CDC7 O00311 4/20 0.46
DBF4 Q9UBU7 4/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL12571455 0.85 MAOA (0.51) RAB9AMAPTNPC1POLBPKM
SCHEMBL2436892 0.83 LMNA (0.62) RAB9AMAPTNPC1POLBPKM
SCHEMBL31341038 0.83 LMNA (0.62) RAB9AMAPTNPC1POLBPKM
SCHEMBL2080499 0.82 RAB9A (0.68) RAB9AMAPTNPC1POLBPKM
SCHEMBL27905768 0.81 HDAC6 (0.44) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL10054632 0.81 CDC7 (0.62) RAB9AMAPTNPC1POLBPKM
SCHEMBL13144514 0.80 MAPT (0.70) RAB9AMAPTNPC1POLBPKM
SCHEMBL3435670 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL6647791 0.78 RAB9A (0.56) RAB9AMAPTNPC1POLBPKM
SCHEMBL13297066 0.77 RAB9A (0.59) RAB9AMAPTNPC1POLBPKM

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 RAB9A 4401/4885MAPT 1330/4885NPC1 4245/4885

“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.