SCHEMBL16092367

SCHEMBL16092367

CC(=O)NCCCc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.41
▸ MTNR1B P49286 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ CSNK2A1 P68400 2/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL16092366 0.97 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1HSD17B10KDM4E
SCHEMBL16092355 0.82 MDM2 (0.39) ALDH1A1HSD17B10KDM4EHPGDCYP2C19
SCHEMBL16092491 0.81 MDM2 (0.39) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL16047275 0.81 KDM5A (0.47) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL16092553 0.79 KDM5A (0.46) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL16092551 0.78 MDM2 (0.39) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL20427594 0.77 MDM2 (0.47) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL16092501 0.77 KDM5A (0.49) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL16092297 0.77 KDM5A (0.51) ALDH1A1HSD17B10KDM4EHPGDMDM2
SCHEMBL16092512 0.77 KDM5A (0.47) ALDH1A1HSD17B10KDM4EHPGDMDM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B MTNR1A 1313/4885MTNR1B 1496/4885ALDH1A1 1424/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B MTNR1A 1313/4885MTNR1B 1496/4885ALDH1A1 1424/4885

“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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