SCHEMBL282228

SCHEMBL282228

CC(=O)N(C)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 2/20 0.56
WDR5 P61964 8/20 0.55
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
SIRT6 Q8N6T7 1/20 0.49

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
SCHEMBL10126942 0.89 ALDH1A1 (0.46) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL30921420 0.85 ALDH1A1 (0.55) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL10126907 0.79 KDM4E (0.52) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL10126992 0.79 ALDH1A1 (0.71) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL16305341 0.79 ALDH1A1 (0.67) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL13446452 0.77 ALDH1A1 (0.61) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL1972566 0.76 ALDH1A1 (0.75) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL30879000 0.76 WDR5 (0.73) ALDH1A1GAAWDR5CYP2D6
SCHEMBL282334 0.76 WDR5 (0.73) ALDH1A1GAAWDR5CYP2D6
SCHEMBL2461666 0.76 ALDH1A1 (0.66) ALDH1A1LMNAGAAWDR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
CN-102421761-B Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2014-06-18 CN disclosed
CN-102421761-A Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2012-04-18 CN disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885LMNA 2845/4885GAA 3821/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885LMNA 2845/4885GAA 3821/4885

“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.