SCHEMBL21937795

SCHEMBL21937795

Cn1ncc(-c2cn(C)c(=O)cc2-c2ccccc2)c1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 15/20 0.70
BRD4 O60885 1/20 0.39
PTGS2 P35354 1/20 0.38
LPAR1 Q92633 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21938111 0.88 CREBBP (0.65) CREBBPLPAR1
SCHEMBL20532149 0.83 CREBBP (1.00) CREBBPBRD4PTGS2
SCHEMBL21937961 0.82 CREBBP (0.67) CREBBPBRD4PTGS2LPAR1
SCHEMBL9955454 0.82 LPAR1 (0.47) CREBBPPTGS2LPAR1NPC1HSP90AA1
SCHEMBL21938200 0.82 CREBBP (0.74) CREBBPBRD4PTGS2NPC1HSP90AA1
SCHEMBL27094645 0.77 CREBBP (0.65) CREBBPBRD4
SCHEMBL20532429 0.74 CREBBP (0.63) CREBBPBRD4
SCHEMBL20531966 0.73 CREBBP (0.60) CREBBPBRD4
SCHEMBL21937920 0.73 CREBBP (0.64) CREBBP
SCHEMBL9697757 0.73 PKM (0.41) CREBBPBRD4LPAR1

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-20210205284-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-07-08 US disclosed
US-11020380-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2021-06-01 US disclosed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 US disclosed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 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 (4 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-11020380-B2 Therapeutic compounds EP300, BRD4, BRD3 CREBBP 18/4885BRD4 2/4885PTGS2 2216/4885
US-20200163946-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 CREBBP 18/4885BRD4 2/4885PTGS2 2216/4885
US-20210205284-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 CREBBP 18/4885BRD4 2/4885PTGS2 2216/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 CREBBP 18/4885BRD4 2/4885PTGS2 2216/4885

“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.