SCHEMBL3201640

SCHEMBL3201640

CC(=N)Nc1ccc2nc(-c3ccc(Cl)cc3)ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.41
CYP1A2 P05177 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
MET P08581 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BRAF P15056 2/20 0.37

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
SCHEMBL3194138 0.89 EPHB4 (0.40) FGFR4LMNAMAOAMAOBBRAF
SCHEMBL3194081 0.88 MET (0.41) CYP1A2LMNACYP2C9CYP2C19MET
SCHEMBL3196775 0.87 MEN1 (0.40) FGFR4CYP1A2LMNACYP2C9CYP2C19
SCHEMBL3191800 0.86 MAOA (0.50) CYP1A2LMNACYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL3204239 0.85 MAOA (0.49) CYP1A2LMNACYP2C19MEN1KMT2A
SCHEMBL3201555 0.85 MAOA (0.51) CYP1A2LMNACYP2C9CYP2C19ADORA3
SCHEMBL3195581 0.84 LCK (0.43) ADORA3BRAFMCHR1LCK
SCHEMBL3202990 0.81 MAPT (0.41) FGFR4CYP1A2LMNACYP2C9CYP2C19
SCHEMBL1747962 0.81 MAOA (0.39) FGFR4CYP1A2MEN1KMT2AKDM4E
SCHEMBL3183539 0.80 NPC1 (0.44) CYP1A2LMNACYP2C9CYP2C19MEN1

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 FGFR4 3755/4885CYP1A2 72/4885LMNA 2950/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 FGFR4 3755/4885CYP1A2 72/4885LMNA 2950/4885

“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.