SCHEMBL899041

SCHEMBL899041

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 8/20 0.36
ALOX5 P09917 4/20 0.36
PPARA Q07869 6/20 0.35
RXRA P19793 5/20 0.35
RXRG P48443 5/20 0.35
RXRB P28702 4/20 0.35
PPARD Q03181 3/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL899319 0.93 MEN1 (0.47) MEN1KMT2AGAACYP2C19POLB
SCHEMBL15757163 0.75 CYP2D6 (0.65) KMT2ASMN1; SMN2GAACYP2D6CYP2C19
SCHEMBL29368005 0.74 KMT2A (0.49) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL191585 0.74 KMT2A (0.49) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL898892 0.74 MEN1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL898895 0.74 MEN1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11426179 0.72 KMT2A (0.47) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL3877330 0.72 CYP2D6 (0.59) MEN1KMT2ASMN1; SMN2GAACYP2D6
SCHEMBL11305748 0.70 ADORA3 (0.38) MEN1KMT2ASMN1; SMN2GAA
SCHEMBL15758161 0.69 CYP2D6 (0.63) KMT2ASMN1; SMN2GAACYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1641/4885SMN1; SMN2 4016/4885

“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.