SCHEMBL3182136

SCHEMBL3182136

COc1ccc(-c2nc3cc(NC(C)=N)ccc3s2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.49
MAPT P10636 5/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 1/20 0.48
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3191902 0.86 TP53 (0.51) MAPTTP53LMNASMN1; SMN2NPC1
SCHEMBL3182125 0.84 HDAC6 (0.58) DYRK1AMAPTCLK1CLK2DYRK2
SCHEMBL3201161 0.81 SMN1; SMN2 (0.60) DYRK1AMAPTTP53LMNACLK1
SCHEMBL3201134 0.77 CYP1A1 (0.53) DYRK1AMAPTCYP1A1CYP1B1NPC1
SCHEMBL12471052 0.77 CYP1A1 (0.53) DYRK1AMAPTTP53LMNACYP1A1
SCHEMBL13343677 0.77 AGPAT2 (0.42) DYRK1AMAPTTP53LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3204643 0.77 AGPAT2 (0.41) DYRK1AMAPTTP53LMNASMN1; SMN2
SCHEMBL13420354 0.76 AGPAT2 (0.41) DYRK1AMAPTTP53LMNACLK1
SCHEMBL15454599 0.76 MAPT (0.72) MAPTTP53LMNACYP1A1CYP1B1
SCHEMBL3202715 0.76 MAPT (0.54) MAPTTP53LMNASMN1; SMN2RAB9A

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 12 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-7682774-B2 Resin composition comprising catalyst precursor for electroless plating to form electromagnetic wave shielding layer, methods for forming metal patterns using the resin composition and metal patterns formed by the methods LG CHEM, LTD. (KR) 2010-03-23 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
WO-2007119966-A9 RESIN COMPOSITION COMPRISING CATALYST PRECURSOR FOR ELECTROLESS PLATING TO FORM ELECTROMAGNETIC WAVE SHIELDING LAYER, METHODS FOR FORMING METAL PATTERNS USING THE RESIN COMPOSITION AND METAL PATTERNS FORMED BY THE METHODS LG CHEMICAL LTD (KR) 2008-10-02 WO disclosed
US-20070243363-A1 Resin composition comprising catalyst precursor for electroless plating to form electromagnetic wave shielding layer, methods for forming metal patterns using the resin composition and metal patterns formed by the methods LG CHEM, LTD. (KR) 2007-10-18 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 DYRK1A 4488/4885MAPT 4542/4885TP53 4810/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 DYRK1A 4488/4885MAPT 4542/4885TP53 4810/4885

“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.