SCHEMBL282425

SCHEMBL282425

CSc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)c(OC(C)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.42
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDR P35968 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
IGF1R P08069 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL283538 0.84 RAB9A (0.46) TNFRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10127132 0.82 SYK (0.38) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL328299 0.82 PDE4B (0.41) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL13070939 0.81 TNF (0.39) TNFMAPTLMNAALDH1A1PPARG
SCHEMBL10156034 0.80 LTA4H (0.40) RAB9ANPC1MAPTL3MBTL1PPARG
SCHEMBL10127247 0.80 KMT2A (0.41) PPARG
SCHEMBL10127243 0.79 ZAP70 (0.33) PPARG
SCHEMBL13071323 0.79 ZAP70 (0.33) PPARG
SCHEMBL10157923 0.78 KIT (0.38)
SCHEMBL10127241 0.78 KIT (0.35) TRPV1

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 17 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
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
EP-2428508-B9 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
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-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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US 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
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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 (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 TNF 4668/4885RAB9A 1850/4885NPC1 3728/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 TNF 4668/4885RAB9A 1850/4885NPC1 3728/4885

“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.