SCHEMBL16092401

SCHEMBL16092401

CC(C)c1c(-c2cnn(Cc3ccccc3F)c2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ KDM5A P29375 10/20 0.40
▸ KDM5B Q9UGL1 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALK Q9UM73 1/20 0.37
▸ KDM5C P41229 2/20 0.36
▸ RET P07949 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM6B O15054 1/20 0.34
▸ KDM5D Q9BY66 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ SCD O00767 1/20 0.34

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
SCHEMBL17547792 0.89 CREBBP (0.43) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL17547813 0.89 CREBBP (0.43) CREBBPADORA2BKDM5AKDM5BKDM5C
SCHEMBL16092302 0.88 CREBBP (0.42) CREBBPKDM5AKDM5BKDM5CKDM6B
SCHEMBL17547802 0.88 ADORA2A (0.45) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL16092313 0.87 KDM5B (0.50) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL17547809 0.85 CREBBP (0.41) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL16092324 0.85 CREBBP (0.44) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL17547847 0.85 ADORA2B (0.44) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL16092356 0.85 KDM5B (0.46) CREBBPADORA2BADORA2AADORA1KDM5A
SCHEMBL16092494 0.84 ADORA2B (0.48) CREBBPADORA2BADORA2AADORA1KDM5B

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 CREBBP 717/4885ADORA2B 3759/4885ADORA2A 3367/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B CREBBP 717/4885ADORA2B 3759/4885ADORA2A 3367/4885

“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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