SCHEMBL10128469

SCHEMBL10128469

CC(C)NC(=O)c1ccc(Nc2nc(NCC3(N)CCCCC3)[nH]c(=O)c2C(N)=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.39
P2RX3 P56373 1/20 0.37
BCDIN3D Q7Z5W3 6/20 0.34
GART P22102 1/20 0.33
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.32
PTK6 Q13882 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10128414 0.92 SYK (0.38) SYKBCDIN3DP2RX7MEN1KMT2A
SCHEMBL10128419 0.90 SYK (0.39) SYKBCDIN3DP2RX7PTK6MEN1
SCHEMBL10158084 0.87 SYK (0.36) SYKBCDIN3DP2RX7MEN1KMT2A
SCHEMBL10128468 0.86 PTK6 (0.40) SYKBCDIN3DPTK6
SCHEMBL16305357 0.85 SYK (0.38) SYKBCDIN3DP2RX7MAP4K1
SCHEMBL10128490 0.84 SYK (0.38) SYKBCDIN3DJAK2
SCHEMBL10128675 0.83 SYK (0.38) SYKBCDIN3DJAK2MEN1KMT2A
SCHEMBL10156808 0.82 SYK (0.42) SYKBCDIN3DMEN1KMT2A
SCHEMBL16305358 0.81 SYK (0.38) SYKMAP4K1MEN1KMT2A
SCHEMBL10128304 0.81 SYK (0.40) SYKBCDIN3DMEN1KMT2A

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 SYK 2200/4885P2RX3 1856/4885BCDIN3D 274/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885P2RX3 1856/4885BCDIN3D 274/4885

“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.