SCHEMBL1709137

SCHEMBL1709137

Cc1cc(Nc2cc(I)ncn2)cc2oc(=O)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.48
▸ GRM5 P41594 4/20 0.35
▸ JAK1 P23458 11/20 0.34
▸ JAK3 P52333 11/20 0.34
▸ JAK2 O60674 6/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ TYK2 P29597 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ HPGD P15428 1/20 0.30

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
SCHEMBL1285338 0.85 SYK (0.48) SYKGRM5JAK1JAK3JAK2
SCHEMBL1709139 0.73 CYP1A2 (0.35) CYP3A4CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL1286232 0.69 SYK (0.43) SYK
SCHEMBL15759798 0.69 NOS1 (0.44) SYKGRM5CYP1A2TSHRNOS3
SCHEMBL16435084 0.69 SYK (0.46) SYKGRM5NOS3NOS1NOS2
SCHEMBL1709138 0.68 GABRG2 (0.37) JAK3JAK2CYP3A4CYP1A2CYP2D6
SCHEMBL11132639 0.66 NOS1 (0.52) SYKGRM5CYP1A2MAPK1TSHR
SCHEMBL14651126 0.65 SYK (1.00) SYK
SCHEMBL12846639 0.65 GRM5 (0.36) SYKGRM5
SCHEMBL1285628 0.63 NOS1 (0.41) SYKGRM5CYP1A2TSHRNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 SYK 4533/4885GRM5 2252/4885JAK1 2941/4885

“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.

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