SCHEMBL10155964

SCHEMBL10155964

Nc1ccc(N2CCC3(CCCCC3)C2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RBP4 P02753 1/20 0.41
TTR P02766 1/20 0.41
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NR1H2 P55055 1/20 0.36
HTR1A P08908 1/20 0.35
NOTUM Q6P988 1/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
NR4A1 P22736 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
HTT P42858 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
SCHEMBL1929368 0.79 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2POLBGAA
SCHEMBL25194643 0.79 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2POLBGAA
SCHEMBL30336413 0.79 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2POLBGAA
SCHEMBL10126862 0.79 ALDH1A1 (0.58) MAPTPOLBGAAALDH1A1HTR1A
SCHEMBL13070933 0.79 GAA (0.44) MAPTSMN1; SMN2RBP4TTRGAA
SCHEMBL10156506 0.79 MAPT (0.51) MAPTTP53SMN1; SMN2POLBGAA
SCHEMBL10156514 0.78 MAPT (0.44) MAPTTP53SMN1; SMN2RBP4TTR
SCHEMBL78966 0.78 ALDH1A1 (0.56) MAPTTP53SMN1; SMN2POLBGAA
SCHEMBL25189670 0.77 MAPT (0.50) MAPTTP53SMN1; SMN2POLBGAA
SCHEMBL274394 0.71 MAPT (0.53) MAPTTP53SMN1; SMN2POLBGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 WO 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885TP53 1763/4885SMN1; SMN2 4467/4885

“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.