SCHEMBL2696016

SCHEMBL2696016

CC(C)(C)c1nc(-c2ccccc2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.49
ASIC3 Q9UHC3 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
ADORA2A P29274 4/20 0.43
AURKA O14965 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PRKACA P17612 1/20 0.43
ADORA1 P30542 3/20 0.42
ACHE P22303 2/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL12228875 0.82 ALDH1A1 (0.43) MEN1KMT2ARAB9AACHEALDH1A1
SCHEMBL18053301 0.79 MEN1 (0.45) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL20306788 0.78 MEN1 (0.43) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL15306531 0.75 ATR (0.48) RAB9AADORA2AAURKAHSP90AA1PRKACA
SCHEMBL6618672 0.75 ALDH1A1 (0.55) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL4053052 0.74 MAP2K3 (0.56) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL27839029 0.72 MAP2K3 (0.55) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL5109756 0.71 MAP2K3 (0.53) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL27810693 0.71 MAP2K3 (0.53) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL21857026 0.71 MAP2K3 (0.58) MAP2K3ASIC3MEN1KMT2ARAB9A

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAP2K3 3215/4885ASIC3 3280/4885MEN1 4082/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAP2K3 3215/4885ASIC3 3280/4885MEN1 4082/4885

“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.