SCHEMBL898892

SCHEMBL898892

CSc1nc(N)cc(NCCNC(=O)/C=C/C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PTGDR Q13258 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL898895 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1L3MBTL1FGFR3
SCHEMBL899319 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1PTGDR
SCHEMBL899041 0.74 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21203117 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL15295020 0.71 PIM2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL16507189 0.71 PIM2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL16213780 0.70 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL11305748 0.68 ADORA3 (0.38) MEN1KMT2AL3MBTL1ADORA3ADORA2A
SCHEMBL16507279 0.68 HDAC6 (0.42) KMT2AALDH1A1SMN1; SMN2
SCHEMBL15295064 0.68 HDAC6 (0.42) KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO MEN1 1940/4885KMT2A 1641/4885ALDH1A1 1345/4885

“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.