SCHEMBL3198902

SCHEMBL3198902

CC(=N)Nc1ccc2nc(Cc3ccccc3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MCHR1 Q99705 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PDE10A Q9Y233 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT1 P42224 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
PTPN7 P35236 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
SCHEMBL3198296 0.89 PDE10A (0.45) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3205855 0.83 NPC1 (0.49) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3192202 0.79 RAB9A (0.42) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3194098 0.77 RAB9A (0.55) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3198291 0.76 NPC1 (0.42) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3205877 0.75 PLAU (0.50) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3992249 0.74 PDE10A (0.64) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3190423 0.73 MAPT (0.52) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3193606 0.73 TRPV1 (0.43) MAPTRAB9ANPC1TP53SMN1; SMN2
SCHEMBL3190251 0.73 KDM4E (0.42) MAPTRAB9ANPC1KDM4EMEN1

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 4542/4885RAB9A 2198/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAPT 4542/4885RAB9A 2198/4885NPC1 4082/4885

“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.