SCHEMBL3192202

SCHEMBL3192202

CC(=N)Nc1ccc2nc(Cc3ccccc3)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PIK3CA P42336 1/20 0.39
MAPT P10636 7/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
PABPC1 P11940 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3194109 0.89 PLAU (0.42) RAB9ANPC1KDM4EPIK3CAMAPT
SCHEMBL3205855 0.80 NPC1 (0.49) RAB9ANPC1KDM4EMAPTPLAU
SCHEMBL3191800 0.79 MAOA (0.50) RAB9ANPC1KDM4EMAPTPLAU
SCHEMBL3198902 0.79 MAPT (0.43) RAB9ANPC1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL3204239 0.78 MAOA (0.49) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL3205877 0.74 PLAU (0.50) RAB9ANPC1KDM4EMAPTPLAU
SCHEMBL3202124 0.74 PTGS2 (0.40) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL3194102 0.74 RAB9A (0.38) RAB9ANPC1KDM4EMAPTPLAU
SCHEMBL3202128 0.74 PTGS2 (0.40) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL3198296 0.72 PDE10A (0.45) RAB9ANPC1KDM4EMAPTPLAU

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 RAB9A 2198/4885NPC1 4082/4885KDM4E 3052/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 RAB9A 2198/4885NPC1 4082/4885KDM4E 3052/4885

“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.