SCHEMBL385099

SCHEMBL385099

CNC(=O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
POLB P06746 2/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALPL P05186 1/20 0.58
MAPT P10636 6/20 0.57
ALDH1A1 P00352 6/20 0.57
LMNA P02545 4/20 0.55
KLF10 Q13118 1/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL544644 0.87 TSHR (0.68) TSHRPOLBMEN1KMT2AGAA
SCHEMBL22734863 0.86 CASP6 (0.62) TSHRPOLBMEN1KMT2AGAA
SCHEMBL5180766 0.85 TSHR (0.66) TSHRPOLBMEN1KMT2AGAA
SCHEMBL17486764 0.83 GPR35 (0.51) TSHRPOLBMEN1KMT2AGAA
SCHEMBL3104435 0.83 RAB9A (0.66) TSHRPOLBMEN1KMT2AGAA
SCHEMBL28050912 0.82 TSHR (0.77) TSHRPOLBMEN1KMT2AGAA
SCHEMBL6024367 0.82 ATM (0.51) TSHRPOLBMEN1KMT2AGAA
SCHEMBL2250519 0.82 HCAR3 (0.56) TSHRPOLBMEN1KMT2AGAA
SCHEMBL30871059 0.82 ATM (0.51) TSHRPOLBMEN1KMT2AGAA
SCHEMBL30871113 0.82 MAPT (0.66) TSHRMEN1KMT2AGAAMAPT

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 19 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-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 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
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
EP-2010542-B1 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2012-01-25 EP disclosed
US-8067417-B2 Imidazo[1,2-F]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 US disclosed
WO-2007120752-A2 4, 5-DIHYDRO- [1, 2, 4] TRIAZOLO [4, 3-F] PTERIDINES AS PROTEIN KINASE PLK1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 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 (5 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-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 TSHR 2455/4885POLB 3902/4885MEN1 751/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 TSHR 2455/4885POLB 3902/4885MEN1 751/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 TSHR 3964/4885POLB 4590/4885MEN1 724/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 TSHR 2455/4885POLB 3902/4885MEN1 751/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 TSHR 3964/4885POLB 4590/4885MEN1 724/4885

“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.