SCHEMBL12355076

SCHEMBL12355076

C=c1c2cccc3c(C(C)(C)C)ccc(c(=O)n1C)c32

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL23396287 0.78 CYP1B1 (0.42) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL14169090 0.76 KMT2A (0.41) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL15267178 0.76 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL14849938 0.76 KMT2A (0.38) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL12355074 0.72 TDP1 (0.37) —
SCHEMBL28380969 0.69 ALDH1A1 (0.43) KDM4E
SCHEMBL19361418 0.67 ALDH1A1 (0.49) —
Formaldehyde SCHEMBL28437274 0.66 ALDH1A1 (0.48) KDM4E
SCHEMBL12601548 0.66 PKM (0.58) KDM4E
SCHEMBL19199222 0.65 TERT (0.44) ADORA3ADORA2AADORA2BADORA1KDM4E

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-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 — — US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 — — US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 — — 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-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 ADORA3 3554/4885ADORA2A 3873/4885ADORA2B 4617/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 ADORA3 3520/4885ADORA2A 3835/4885ADORA2B 4614/4885

“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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