SCHEMBL17888397

SCHEMBL17888397

Cc1ccc(C(=O)N2CCCC2c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ BLM P54132 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CHRNA7 P36544 2/20 0.54
▸ CHRNB2 P17787 2/20 0.54
▸ CHRNB4 P30926 2/20 0.54
▸ CHRNA3 P32297 2/20 0.54
▸ CHRNA4 P43681 2/20 0.54
▸ CHRNA2 Q15822 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTR3E A5X5Y0 1/20 0.54
▸ PSIP1 O75475 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ HTR3B O95264 1/20 0.54
▸ CHRNA1 P02708 1/20 0.54

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
SCHEMBL17888296 0.96 KDM4E (0.63) ALDH1A1KDM4EBLMPKMAPEX1
SCHEMBL5909347 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EBLMPKMAPEX1
SCHEMBL17886675 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EBLMCHRNA7CHRNB2
SCHEMBL19226526 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EBLMPKMAPEX1
SCHEMBL21078063 0.85 ALDH1A1 (0.64) ALDH1A1KDM4ECHRNA7CHRNB2CHRNA4
SCHEMBL13212081 0.85 ROCK2 (0.55) ALDH1A1HSD17B10MAPTPRMT5WDR77
SCHEMBL24497004 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EBLMCHRNA7CHRNB2
SCHEMBL19226713 0.84 KDM4E (0.60) ALDH1A1KDM4ECHRNA7CHRNB2CHRNA4
SCHEMBL17886719 0.84 KDM4E (0.60) ALDH1A1KDM4ECHRNA7CHRNB2CHRNA4
SCHEMBL30350219 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EBLMCHRNA7CHRNB2

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 ALDH1A1 1339/4885KDM4E 1708/4885BLM 2217/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885KDM4E 1708/4885BLM 2217/4885

“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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