SCHEMBL3201513

SCHEMBL3201513

CC(=N)Nc1ccc2sc(-c3ccccn3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.54
ALDH1A1 P00352 8/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
DYRK1A Q13627 1/20 0.47
MAPT P10636 7/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MIF P14174 1/20 0.42
GABRA1 P14867 1/20 0.42
GAA P10253 4/20 0.42
APP P05067 1/20 0.40
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL3196077 0.83 RAB9A (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3204787 0.80 MAPT (0.48) KDM4ERAB9ANPC1SMN1; SMN2TP53
SCHEMBL3192267 0.80 MAPT (0.50) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3198889 0.79 AGPAT2 (0.52) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3191902 0.77 TP53 (0.51) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3195869 0.77 SMN1; SMN2 (0.56) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3183548 0.77 MAPT (0.52) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3182271 0.77 RAB9A (0.40) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3194756 0.77 PTPN7 (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23954341 0.76 KDM4E (0.77) KDM4EALDH1A1RAB9ANPC1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 KDM4E 3052/4885ALDH1A1 1195/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 KDM4E 3052/4885ALDH1A1 1195/4885RAB9A 2198/4885

“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.