SCHEMBL3202307

SCHEMBL3202307

CC(=N)Nc1ccc2nc(-c3ccccc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CNR1 P21554 1/20 0.43
PLAU P00749 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL3191039 0.90 CNR1 (0.47) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL3194359 0.86 MAOA (0.47) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL3191748 0.86 CNR1 (0.47) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL26613551 0.86 KMT2A (0.59) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL3198792 0.85 NPC1 (0.48) NPC1RAB9AKDM4EMAPTCNR1
SCHEMBL3183564 0.85 CNR1 (0.50) NPC1RAB9AKMT2AMEN1CNR1
SCHEMBL3190295 0.84 NPC1 (0.52) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL3207427 0.83 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL3190104 0.83 ABL1 (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL26613421 0.82 NPC1 (0.55) NPC1RAB9AKMT2AMEN1KDM4E

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 8 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-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 NPC1 4082/4885RAB9A 2198/4885KMT2A 3630/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885KMT2A 3630/4885

“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.