SCHEMBL13062323

SCHEMBL13062323

Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)n2cc(COc3ccc4nc(S)sc4c3)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
IL1RN P18510 3/20 0.37
ERAP2 Q6P179 3/20 0.37
ERAP1 Q9NZ08 1/20 0.37
SCD O00767 1/20 0.37
CYP19A1 P11511 1/20 0.37
CSNK1D P48730 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PRMT5 O14744 1/20 0.35
LGALS3 P17931 1/20 0.35
RIOK2 Q9BVS4 4/20 0.35
GSK3A P49840 3/20 0.35
MAPK10 P53779 3/20 0.35
MAPK8 P45983 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
SNRK Q9NRH2 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
SCHEMBL3735102 0.89 CA2 (0.50) IL1RNERAP2ERAP1KDM4E
SCHEMBL3735098 0.89 CA2 (0.50) IL1RNERAP2ERAP1KDM4E
SCHEMBL13062305 0.84 PTGS2 (0.38) PTGS2IL1RNERAP2ERAP1SCD
SCHEMBL13062085 0.84 IL1RN (0.43) PTGS2IL1RNERAP2ERAP1CYP3A4
SCHEMBL13062082 0.83 PTGS2 (0.40) PTGS2IL1RNERAP2ERAP1CSNK1D
SCHEMBL13062084 0.83 PTGS2 (0.40) PTGS2IL1RNERAP2ERAP1SCD
SCHEMBL13078309 0.83 PTGS2 (0.44) PTGS2IL1RNERAP2ERAP1SCD
SCHEMBL13062319 0.82 PTGS2 (0.39) PTGS2IL1RNERAP2ERAP1SCD
SCHEMBL13062078 0.82 PTGS2 (0.40) PTGS2IL1RNERAP2ERAP1SCD
SCHEMBL13062081 0.81 TDP1 (0.43) PTGS2CYP3A4NPC1RAB9A

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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 PTGS2 2181/4885IL1RN 1995/4885ERAP2 1180/4885

“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.