SCHEMBL10128795

SCHEMBL10128795

CC(=O)c1cc(Nc2nc(NCC3(N)CCCCC3)[nH]c(=O)c2C(N)=O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
BCDIN3D Q7Z5W3 11/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL10157288 0.92 SYK (0.38) SYKBCDIN3DKCNH2
SCHEMBL10156884 0.90 SYK (0.36) SYKBCDIN3DMEN1KMT2A
SCHEMBL10128703 0.89 PARP1 (0.38) SYKBCDIN3D
SCHEMBL17340362 0.88 SYK (0.36) SYKBCDIN3D
SCHEMBL10128419 0.88 SYK (0.39) SYKBCDIN3DMEN1KMT2A
SCHEMBL10128788 0.86 EPHX2 (0.39) SYK
SCHEMBL10128272 0.84 ESR1 (0.42) SYKMEN1KMT2A
SCHEMBL16305358 0.84 SYK (0.38) SYKMEN1KMT2A
SCHEMBL10128304 0.84 SYK (0.40) SYKBCDIN3DMEN1KMT2A
SCHEMBL16305357 0.83 SYK (0.38) SYKBCDIN3D

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 2200/4885BCDIN3D 274/4885MEN1 724/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885BCDIN3D 274/4885MEN1 724/4885

“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.