SCHEMBL20377780

SCHEMBL20377780

Cn1ncc2ccc(N3CCCCC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 4/20 0.48
▸ PARP1 P09874 2/20 0.46
▸ GRM2 Q14416 1/20 0.43
▸ HRH4 Q9H3N8 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL8802140 0.87 HTR3A (0.53) PARP1HRH4KDM4EALDH1A1
SCHEMBL20377819 0.71 HRH4 (0.46) SMPD3HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL12166977 0.70 SMPD3 (0.44) SMPD3PARP1GRM2HRH4CRHBP
SCHEMBL29967049 0.69 TERT (0.51) HRH4SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL7914443 0.69 RAB9A (0.41) SMN1; SMN2KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL20015997 0.68 SMPD3 (0.68) SMPD3
SCHEMBL23346697 0.67 PI4KA (0.40) ALDH1A1MAPK1PIM1
SCHEMBL15525119 0.67 PDE2A (0.40) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL25382823 0.67 NOTUM (0.39) GAAMAPK1HTR2C
SCHEMBL30503614 0.67 MAPT (0.37) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10

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-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 — — 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-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS IRAK4, IRAK3, IRAK2 SMPD3 3651/4885PARP1 952/4885GRM2 2648/4885

“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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