SCHEMBL17809607

SCHEMBL17809607

CNc1ccc(-c2cc3c(cc2C(F)F)N(C)CCC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 20/20 0.46
BRD4 O60885 4/20 0.44
EP300 Q09472 2/20 0.44

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
SCHEMBL17809749 0.88 CREBBP (0.47) CREBBPBRD4
SCHEMBL17806321 0.87 CREBBP (0.44) CREBBPBRD4EP300
SCHEMBL17794572 0.83 CREBBP (0.59) CREBBPBRD4EP300
SCHEMBL17809599 0.83 CREBBP (0.44) CREBBPBRD4EP300
SCHEMBL17809792 0.81 CYP11B2 (0.39)
SCHEMBL17809757 0.79 CREBBP (0.44) CREBBPBRD4EP300
SCHEMBL17809617 0.77 CREBBP (0.63) CREBBPBRD4EP300
SCHEMBL17809762 0.76 CREBBP (0.43) CREBBPBRD4EP300
SCHEMBL17806322 0.76 CREBBP (0.44) CREBBPBRD4
SCHEMBL17809601 0.74 CREBBP (0.44) CREBBPBRD4EP300

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CREBBP 6/4885BRD4 11/4885EP300 1/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CREBBP 6/4885BRD4 11/4885EP300 1/4885

“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.