SCHEMBL899319

SCHEMBL899319

CSc1nc(N)cc(NCCNC(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PTGDR Q13258 1/20 0.36
TLR8 Q9NR97 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IKBKB O14920 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL899041 0.93 MEN1 (0.41) MEN1KMT2ATP53ALDH1A1CYP3A4
SCHEMBL898895 0.80 MEN1 (0.36) MEN1KMT2AL3MBTL1PTGDRADORA3
SCHEMBL898892 0.80 MEN1 (0.36) MEN1KMT2AL3MBTL1PTGDRADORA3
SCHEMBL11305748 0.76 ADORA3 (0.38) MEN1KMT2AL3MBTL1TLR8ADORA3
SCHEMBL4249530 0.73 ADORA3 (0.56) MEN1KMT2AL3MBTL1ADORA3ADORA2A
SCHEMBL9413801 0.70 MEN1 (0.41) MEN1KMT2AL3MBTL1MAPTCYP3A4
SCHEMBL15757163 0.70 CYP2D6 (0.65) KMT2ATLR8MAPTALDH1A1CYP2C19
SCHEMBL11292565 0.68 PTGDR (0.41) MEN1KMT2APTGDRADORA3ADORA2A
SCHEMBL28151063 0.68 HRH4 (0.56) TLR8ADORA2ACYP2C19GAAHRH4
SCHEMBL14914349 0.68 HTT (0.48) MEN1KMT2AMAPTALDH1A1THRB

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-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
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
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 1641/4885TP53 4822/4885

“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.