SCHEMBL3201274

SCHEMBL3201274

CC(=N)Nc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
TP53 P04637 1/20 0.45
STAT1 P42224 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIF20B Q96Q89 1/20 0.43
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK3 P52333 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
JAK2 O60674 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3195930 0.87 RAB9A (0.52) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL3196237 0.85 CNR1 (0.44) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL3208421 0.84 ABL1 (0.41) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL3201144 0.82 APP (0.46) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL3194098 0.82 RAB9A (0.55) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL3204240 0.80 ABL1 (0.41) RAB9ANPC1ABL1MAPTEPHB4
SCHEMBL3194138 0.79 EPHB4 (0.40) RAB9ANPC1JAK3ABL1MAPT
SCHEMBL3205101 0.77 APP (0.47) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL3203000 0.74 KDM4E (0.46) RAB9ANPC1TP53SMN1; SMN2POLB
SCHEMBL3190500 0.74 MAPT (0.64) RAB9ANPC1TP53SMN1; SMN2POLB

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 4082/4885TP53 4810/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 RAB9A 2198/4885NPC1 4082/4885TP53 4810/4885

“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.