SCHEMBL3777989

SCHEMBL3777989

CSc1ccc(Nc2c(C(=O)O)n(C3CC3)c3ccncc23)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4C Q9H3R0 13/20 0.35
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
GPR6 P46095 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NUDT1 P36639 1/20 0.32
ELANE P08246 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL1919943 0.91 BRD4 (0.36) MAP2K2MAP2K1BRD4CREBBPKDM4C
SCHEMBL13015132 0.86 MAP2K1 (0.45) MAP2K2MAP2K1
SCHEMBL1921116 0.86 MAP2K1 (0.43) MAP2K2MAP2K1
SCHEMBL1920512 0.86 MAP2K1 (0.47) MAP2K2MAP2K1
SCHEMBL12533858 0.85 MAP2K1 (0.50) MAP2K2MAP2K1
SCHEMBL1921206 0.82 MAP2K1 (0.38) MAP2K2MAP2K1
SCHEMBL1920476 0.78 MAP2K1 (0.43) MAP2K2MAP2K1BRD4CREBBP
SCHEMBL1920639 0.77 BRD4 (0.36) MAP2K1BRD4CREBBPKDM4CKDM5A
SCHEMBL1920655 0.76 DHODH (0.38) KDM4C
SCHEMBL12534001 0.74 MAP2K1 (0.48) MAP2K2MAP2K1

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-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
EP-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 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 (1 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI MAP2K2 16/4885MAP2K1 24/4885BRD4 351/4885

“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.