SCHEMBL17547847

SCHEMBL17547847

CC(C)c1c(-c2cnn(Cc3ccc(F)c(F)c3)c2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.44
▸ ADORA2A P29274 4/20 0.44
▸ ADORA1 P30542 4/20 0.44
▸ KDM5A P29375 6/20 0.43
▸ KDM5B Q9UGL1 4/20 0.43
▸ CACNA1H O95180 3/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ ADORA3 P0DMS8 3/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ CREBBP Q92793 1/20 0.36

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
SCHEMBL16092524 0.93 KDM5A (0.39) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL16092324 0.90 CREBBP (0.44) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL16092494 0.89 ADORA2B (0.48) ADORA2BADORA2AADORA1KDM5BALK
SCHEMBL16092484 0.87 ADORA2B (0.45) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL16092313 0.86 KDM5B (0.50) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL16092356 0.86 KDM5B (0.46) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL17547793 0.85 KDM5B (0.51) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL17547800 0.85 KDM5B (0.44) ADORA2BADORA2AADORA1KDM5AKDM5B
SCHEMBL16092509 0.85 KDM5A (0.38) KDM5AKDM5BKDM5C
SCHEMBL17547803 0.85 RET (0.43) ADORA2BADORA2AADORA1KDM5AKDM5B

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 4 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

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 ADORA2B 3759/4885ADORA2A 3367/4885ADORA1 3600/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B ADORA2B 3759/4885ADORA2A 3367/4885ADORA1 3600/4885

“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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