SCHEMBL17549439

SCHEMBL17549439

CNC(=O)c1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ KLK3 P07288 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37

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
SCHEMBL16092425 0.90 CYP11B2 (0.39) KDM1APGRMETTLR8TLR7
SCHEMBL16092509 0.87 KDM5A (0.38) PGR
SCHEMBL17549523 0.85 TLR8 (0.39) TLR8TLR7EGLN1
SCHEMBL16091921 0.83 KDM5A (0.40) PGR
SCHEMBL16092423 0.82 KDM5A (0.34) PGR
SCHEMBL16092238 0.82 CSNK2A1 (0.39) —
SCHEMBL16092434 0.81 PLAT (0.38) —
SCHEMBL17547829 0.81 USP30 (0.46) KDM1ACNR1EGLN1USP30
SCHEMBL16092255 0.81 KDM5B (0.42) PGR
SCHEMBL16092402 0.80 CYP11B1 (0.40) KDM1ATLR8TLR7EGLN1

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-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

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 AR 2869/4885KDM1A 6/4885GABRP 2062/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B AR 2869/4885KDM1A 6/4885GABRP 2062/4885

“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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