SCHEMBL16092330

SCHEMBL16092330

CC(C)c1c(-c2ccnc(C(F)(F)F)c2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 2/20 0.46
▸ TLR9 Q9NR96 3/20 0.41
▸ TLR8 Q9NR97 3/20 0.41
▸ TLR7 Q9NYK1 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ KDM5A P29375 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ PARP15 Q460N3 1/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ TIPARP Q7Z3E1 1/20 0.35
▸ PARP16 Q8N5Y8 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ PLAT P00750 2/20 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
SCHEMBL16092261 0.86 KDM5B (0.46) KDM5BKDM5APLAT
SCHEMBL17547832 0.84 KDM5A (0.41) KDM5BKDM5APLAT
SCHEMBL16092517 0.84 KDM5A (0.45) KDM5BKDM5AKDM4EPLAT
SCHEMBL16092281 0.83 KDM5A (0.55) TLR9TLR8TLR7CYP3A4AAK1
SCHEMBL16092254 0.83 KDM5A (0.55) KDM5BKDM5AKDM4EPLAT
SCHEMBL16092244 0.83 KDM5A (0.52) KDM5BKDM5AKDM4EPLAT
SCHEMBL16092521 0.83 KDM5A (0.39) KDM5BKDM5APLAT
SCHEMBL17547833 0.83 KDM5A (0.39) KDM5BKDM5APLAT
SCHEMBL16092509 0.81 KDM5A (0.38) KDM5BKDM5APLAT
SCHEMBL16092432 0.80 KDM5A (0.42) KDM5BKDM5AKDM4EPLAT

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 KDM5B 3/4885TLR9 3308/4885TLR8 3005/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5B 3/4885TLR9 3308/4885TLR8 3005/4885

“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