SCHEMBL3202990

SCHEMBL3202990

CC(=N)Nc1ccc2nc(-c3ccccc3Cl)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
MET P08581 1/20 0.40
ABL1 P00519 5/20 0.39
FGFR4 P22455 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GBA1 P04062 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3205673 0.85 KMT2A (0.43) MAPTTP53FGFR4MEN1KMT2A
SCHEMBL3182261 0.83 MAOA (0.52) TP53FGFR4CYP1A2CYP3A4CYP2D6
SCHEMBL3191800 0.83 MAOA (0.50) MAPTTP53CYP1A2MAPK1CYP2C19
Hydrochloric Acid SCHEMBL3204239 0.82 MAOA (0.49) MAPTTP53CYP1A2MAPK1CYP2C19
SCHEMBL3190104 0.82 ABL1 (0.48) MAPTMETABL1CYP1A2CYP3A4
SCHEMBL3201640 0.81 FGFR4 (0.41) MAPTTP53METFGFR4CYP1A2
SCHEMBL3194138 0.81 EPHB4 (0.40) MAPTABL1FGFR4RAB9ALMNA
SCHEMBL3194081 0.80 MET (0.41) MAPTMETCYP1A2CYP3A4CYP2C9
SCHEMBL3196775 0.76 MEN1 (0.40) MAPTTP53FGFR4CYP1A2CYP3A4
SCHEMBL3208186 0.76 ABL1 (0.46) MAPTTP53METABL1CYP1A2

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 MAPT 4542/4885TP53 4810/4885MET 4178/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAPT 4542/4885TP53 4810/4885MET 4178/4885

“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.