SCHEMBL16303166

SCHEMBL16303166

NCCNc1nc(Nc2ccc(Oc3ccccc3)nc2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.42
ZAP70 P43403 3/20 0.42
LTA4H P09960 1/20 0.41
OPRM1 P35372 6/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 6/20 0.39
P2RX3 P56373 2/20 0.38
DGAT1 O75907 1/20 0.38
HTR2C P28335 1/20 0.38
KARS1 Q15046 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
ROCK1 Q13464 1/20 0.37
GRIN2C Q14957 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
SCHEMBL16303168 0.92 KDM4E (0.41) SYKZAP70LTA4HOPRM1OPRD1
SCHEMBL16303167 0.90 LTA4H (0.43) SYKZAP70LTA4HOPRM1OPRD1
SCHEMBL16303170 0.90 LTA4H (0.39) SYKZAP70LTA4HOPRM1OPRD1
SCHEMBL10128427 0.84 SYK (0.44) SYKZAP70KARS1KCNH2
SCHEMBL10158128 0.84 LTA4H (0.40) SYKLTA4HOPRM1OPRD1OPRK1
SCHEMBL10156696 0.80 LTA4H (0.41) SYKZAP70LTA4HOPRM1OPRD1
SCHEMBL10128433 0.76 KDM4E (0.43) SYKZAP70
SCHEMBL10128432 0.74 SYK (0.39) SYKZAP70
SCHEMBL10158107 0.71 SYK (0.45) SYKKCNH2BCDIN3D
SCHEMBL10156575 0.71 LTA4H (0.42) SYKLTA4HOPRM1OPRD1OPRK1

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SYK 2200/4885ZAP70 2470/4885LTA4H 3048/4885

“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.