SCHEMBL10158128

SCHEMBL10158128

NC(=O)c1c(Nc2ccc(Oc3ccccc3)nc2)nc(NCC2(N)CCCCC2)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
SYK P43405 3/20 0.39
OPRM1 P35372 5/20 0.36
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
ADRB3 P13945 5/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.34
P2RX3 P56373 2/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL10158107 0.88 SYK (0.45) SYKALDH1A1KMT2ABCDIN3DKCNH2
SCHEMBL10128425 0.86 SYK (0.37) SYKBCDIN3D
SCHEMBL16303166 0.84 SYK (0.42) LTA4HSYKOPRM1OPRD1OPRK1
SCHEMBL10128257 0.84 SYK (0.41) SYKKMT2ABCDIN3DKCNH2
SCHEMBL10128519 0.84 SYK (0.39) SYKBCDIN3DKCNH2
SCHEMBL16303168 0.83 KDM4E (0.41) LTA4HSYKOPRM1OPRD1OPRK1
SCHEMBL10128922 0.82 SYK (0.42) SYKALDH1A1GAABCDIN3DKCNH2
SCHEMBL10128422 0.82 RAB9A (0.40) SYKALDH1A1
SCHEMBL10156865 0.82 BCDIN3D (0.50) SYKBCDIN3D
SCHEMBL10128304 0.82 SYK (0.40) SYKKMT2ABCDIN3D

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 6 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-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-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 LTA4H 3048/4885SYK 2200/4885OPRM1 3587/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LTA4H 3048/4885SYK 2200/4885OPRM1 3587/4885

“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.