SCHEMBL10127045

SCHEMBL10127045

CSc1nc(Cl)c(C(N)=O)c(Nc2cccc(C(C)=O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
ALOX5 P09917 1/20 0.44
KMT2A Q03164 5/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.43
KDR P35968 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAD52 P43351 1/20 0.41
PPARG P37231 2/20 0.40
TGFBR1 P36897 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL10127040 0.93 TP53 (0.46) TP53PPARGTGFBR1
SCHEMBL16305326 0.89 CSNK2A1 (0.44) TP53PPARG
SCHEMBL10156571 0.88 CAMK1D (0.43) MAPTTP53CA1CA2CA7
SCHEMBL17069444 0.86 LMNA (0.47) MAPTKDRPPARG
SCHEMBL10127101 0.85 CAMK1D (0.47) KMT2ATSHR
SCHEMBL282561 0.83 ALK (0.46) MAPTKMT2AMEN1KDRALDH1A1
SCHEMBL10127055 0.83 CA1 (0.52) MAPTKDRPOLBCA1CA2
SCHEMBL10126444 0.82 MAPK3 (0.43) MAPTTP53KMT2AMEN1POLB
SCHEMBL10126491 0.82 CA1 (0.41) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL10127090 0.81 CA1 (0.48) MAPTKMT2AMEN1KDRALDH1A1

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 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-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 MAPT 3116/4885TP53 1763/4885ALOX5 3918/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885TP53 1763/4885ALOX5 3918/4885

“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.