SCHEMBL17888296

SCHEMBL17888296

Cc1ccc(C(=O)N2CCCCC2c2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ PRMT5 O14744 1/20 0.59
▸ WDR77 Q9BQA1 1/20 0.59
▸ GPBAR1 Q8TDU6 3/20 0.57
▸ KMT2A Q03164 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CHRNB2 P17787 1/20 0.55
▸ CHRNA7 P36544 1/20 0.55
▸ CHRNA4 P43681 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ NPC1 O15118 1/20 0.55

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
SCHEMBL17888397 0.96 ALDH1A1 (0.59) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL21078063 0.89 ALDH1A1 (0.64) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL17886719 0.87 KDM4E (0.60) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL19226713 0.87 KDM4E (0.60) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL5909347 0.85 ALDH1A1 (0.59) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL19226526 0.84 ALDH1A1 (0.56) KDM4EALDH1A1GPBAR1KMT2ALMNA
SCHEMBL17886675 0.84 ALDH1A1 (0.56) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL13024504 0.82 CHRNB2 (0.63) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL14304391 0.82 PRMT5 (0.55) KDM4EALDH1A1PRMT5WDR77GPBAR1
SCHEMBL27603665 0.82 CHRNB2 (0.62) KDM4EALDH1A1PRMT5WDR77KMT2A

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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — 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 (2 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885ALDH1A1 1339/4885PRMT5 1107/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885ALDH1A1 1339/4885PRMT5 1107/4885

“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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