SCHEMBL17547802

SCHEMBL17547802

COc1ccccc1Cn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ CREBBP Q92793 1/20 0.42
▸ KDM5A P29375 11/20 0.41
▸ KDM5B Q9UGL1 5/20 0.40
▸ KDM5C P41229 2/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ RET P07949 1/20 0.37
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5D Q9BY66 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ PHF8 Q9UPP1 1/20 0.35

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
SCHEMBL17547809 0.91 CREBBP (0.41) ADORA2AADORA2BADORA1CREBBPKDM5A
SCHEMBL17547792 0.88 CREBBP (0.43) ADORA2AADORA2BADORA1CREBBPKDM5A
SCHEMBL16092401 0.88 CREBBP (0.43) ADORA2AADORA2BADORA1CREBBPKDM5A
SCHEMBL17547813 0.87 CREBBP (0.43) ADORA2BCREBBPKDM5AKDM5BKDM5C
SCHEMBL16092302 0.86 CREBBP (0.42) CREBBPKDM5AKDM5BKDM5CKDM6B
SCHEMBL16092313 0.86 KDM5B (0.50) ADORA2AADORA2BADORA1CREBBPKDM5A
SCHEMBL17547803 0.84 RET (0.43) ADORA2AADORA2BADORA1KDM5AKDM5B
SCHEMBL16092356 0.83 KDM5B (0.46) ADORA2AADORA2BADORA1CREBBPKDM5A
SCHEMBL17547791 0.83 ADORA2B (0.46) ADORA2AADORA2BADORA1CREBBPKDM5A
SCHEMBL16092324 0.82 CREBBP (0.44) ADORA2AADORA2BADORA1CREBBPKDM5A

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