SCHEMBL18701564

SCHEMBL18701564

CC(C)(C)c1nc2ccnn2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SPR P35270 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ DGAT1 O75907 1/20 0.33
▸ TYMP P19971 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ RET P07949 1/20 0.30
▸ HCK P08631 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
SCHEMBL4004452 0.77 HAVCR2 (0.39) USP2TSHRSPRPDE10ASMN1; SMN2
SCHEMBL1487918 0.77 KMT2A (0.36) SPRL3MBTL1PDE10AALDH1A1SMN1; SMN2
SCHEMBL15739828 0.74 PDE10A (0.38) SPRPDE10ACHEK1PIM1CDK2
SCHEMBL18711468 0.73 L3MBTL1 (0.38) SPRL3MBTL1PDE10AALDH1A1SMN1; SMN2
SCHEMBL13890356 0.71 PDE10A (0.36) SPRPDE10AJAK2RETPIM1
SCHEMBL4003319 0.71 KDM4C (0.41) SPRPDE10ACDK2MAPK1CDK9
SCHEMBL13875162 0.70 PDE10A (0.35) SPRPDE10AHTR2AHTR2CHTR2B
SCHEMBL3999675 0.70 GSK3B (0.43) TSHRSPRPDE10ACDK2MAPK1
SCHEMBL6517226 0.70 SPR (0.38) USP2TSHRSPRPDE10A
SCHEMBL21754100 0.63 PDE10A (0.38) PDE10ADGAT1CHEK1CDK2CCNT1

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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR USP2 3169/4885TSHR 2501/4885SPR 1/4885

“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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