SCHEMBL3201161

SCHEMBL3201161

COc1cccc(-c2nc3cc(NC(C)=N)ccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
DYRK1A Q13627 5/20 0.51
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
DYRK2 Q92630 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL3182125 0.87 HDAC6 (0.58) SMN1; SMN2MAPTRAB9ADYRK1ACLK1
SCHEMBL3183548 0.85 MAPT (0.52) SMN1; SMN2MAPTRAB9ANFKB1NFKB2
SCHEMBL3196077 0.84 RAB9A (0.53) SMN1; SMN2MAPTRAB9ANFKB1NFKB2
SCHEMBL3198795 0.84 RAB9A (0.51) SMN1; SMN2MAPTRAB9ANFKB1NFKB2
SCHEMBL3196621 0.84 MAPT (0.51) SMN1; SMN2MAPTRAB9ANFKB1NFKB2
SCHEMBL3182136 0.81 DYRK1A (0.49) SMN1; SMN2MAPTRAB9ADYRK1ACLK1
SCHEMBL3194858 0.80 ADORA3 (0.46) SMN1; SMN2MAPTRAB9AKDM4ENPC1
SCHEMBL3194962 0.79 HDAC6 (0.45) SMN1; SMN2MAPTRAB9ATDP1NFKB1
SCHEMBL3195869 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9ANFKB1NFKB2
SCHEMBL3191902 0.78 TP53 (0.51) SMN1; SMN2MAPTRAB9AKDM4ENPC1

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 SMN1; SMN2 3663/4885MAPT 4542/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 SMN1; SMN2 3663/4885MAPT 4542/4885RAB9A 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.