SCHEMBL16092342

SCHEMBL16092342

COc1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 9/20 0.40
▸ AR P10275 3/20 0.36
▸ PGR P06401 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL16092525 0.93 KDM5A (0.40) KDM5AARPGRPIM1TLR8
SCHEMBL17547832 0.90 KDM5A (0.41) KDM5AARPGRPDE2AKDM5C
SCHEMBL16092379 0.89 TLR7 (0.42) TLR8TLR7KDM4ETLR9
SCHEMBL16092418 0.89 AR (0.41) KDM5AARPGRTLR8TLR7
SCHEMBL17547833 0.88 KDM5A (0.39) KDM5AARGLAPDE2AKDM5C
SCHEMBL16092398 0.87 KDM5A (0.38) KDM5ATLR8TLR7TLR9KDM5C
SCHEMBL16092521 0.86 KDM5A (0.39) KDM5AARGLAKDM5CKDM4C
SCHEMBL17547807 0.85 KDM5A (0.38) KDM5ATLR8TLR7TLR9KDM5C
SCHEMBL16092358 0.84 GRM2 (0.43) KDM5ATLR8TLR7KDM4EMAPT
SCHEMBL16092292 0.84 NOTUM (0.39) KDM5ATLR8TLR7TLR9

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 KDM5A 1/4885AR 2869/4885PGR 2616/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885AR 2869/4885PGR 2616/4885

“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.

Send feedback