SCHEMBL3206146

SCHEMBL3206146

COc1cccc(-c2ncc3cc(NC(C)=N)ccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 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
SCHEMBL3201555 0.88 MAOA (0.51) ADORA3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3191800 0.85 MAOA (0.50) ABCG2CYP1A2MAPK1CYP2C19KMT2A
Hydrochloric Acid SCHEMBL3204239 0.84 MAOA (0.49) ABCG2CYP1A2MAPK1CYP2C19KMT2A
SCHEMBL3194081 0.84 MET (0.41) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3183539 0.84 NPC1 (0.44) PDGFRBPDGFRACLK4DYRK1AABCG2
SCHEMBL3207427 0.81 ALDH1A1 (0.48) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL3201640 0.78 FGFR4 (0.41) ADORA3CLK4DYRK1ACYP1A2CYP3A4
SCHEMBL3196775 0.78 MEN1 (0.40) ADORA3ADORA2ACLK4CYP1A2CYP3A4
SCHEMBL3182261 0.78 MAOA (0.52) PDGFRBPDGFRAADORA3ADORA1CLK4
SCHEMBL3194138 0.78 EPHB4 (0.40) PDGFRBPDGFRAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 PDGFRB 2873/4885PDGFRA 2764/4885TUBB4A 2144/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 PDGFRB 2873/4885PDGFRA 2764/4885TUBB4A 2144/4885

“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.