SCHEMBL19779244

SCHEMBL19779244

CCCCCCc1nccc(C=N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL22096909 0.80 NOS2 (0.36) —
SCHEMBL21883574 0.78 NOS2 (0.46) DHFRALDH1A1KDM4EUSP2GAA
SCHEMBL21883612 0.77 TLR7 (0.32) DHFRALDH1A1KDM4EUSP2GAA
SCHEMBL23505874 0.76 TDP1 (0.45) DHFRTDP1L3MBTL1KCNH2CYP3A4
SCHEMBL19880572 0.73 KDM4E (0.41) DHFRALDH1A1KDM4EUSP2GAA
SCHEMBL15923846 0.72 TSHR (0.38) DHFRALDH1A1KDM4EUSP2GAA
SCHEMBL28009761 0.71 NOS2 (0.42) DHFRALDH1A1KDM4EUSP2GAA
SCHEMBL23491364 0.71 TLR8 (0.35) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL8713669 0.70 NOS2 (0.49) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL27818098 0.70 TDP1 (0.45) DHFRALDH1A1KDM4EUSP2GAA

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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 — — 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 DHFR 4141/4885ALDH1A1 4626/4885KDM4E 4554/4885

“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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