SCHEMBL1808893

SCHEMBL1808893

CCN(C(=O)O)C(=S)Nc1cc(Br)ccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.45
NTRK1 P04629 1/20 0.41
SORT1 Q99523 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
ABL1 P00519 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
GRM5 P41594 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 2/20 0.37
MEN1 O00255 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
SCHEMBL1814015 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1554419 0.77 RIOK2 (0.57) RIOK2NTRK1SORT1RAB9ANPC1
SCHEMBL19549753 0.77 GAA (0.50) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL19920982 0.75 CHRNB2 (0.45) NTRK1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3226652 0.74 EGFR (0.43) SORT1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL1933448 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27916162 0.73 RIOK2 (0.40) RIOK2NTRK1SORT1RAB9ANPC1
SCHEMBL25223421 0.73 RIOK2 (0.53) RIOK2NTRK1SORT1RAB9ANPC1
SCHEMBL477127 0.73 SMN1; SMN2 (0.53) RIOK2NTRK1SORT1RAB9ANPC1
SCHEMBL16913891 0.73 RIOK2 (0.56) RIOK2NTRK1SORT1RAB9ANPC1

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
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT RIOK2 3333/4885NTRK1 3185/4885SORT1 4684/4885

“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.