SCHEMBL3208186

SCHEMBL3208186

CC(=N)Nc1ccc2ccc(-c3ccccc3Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
CNR1 P21554 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
RUNX1 Q01196 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
SCHEMBL3190104 0.90 ABL1 (0.48) ABL1CNR1MEN1KMT2ACYP1A2
SCHEMBL3191236 0.85 ADORA2A (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3191039 0.83 CNR1 (0.47) CNR1MEN1KMT2ACYP2C19CYP3A4
SCHEMBL3193619 0.83 MAOA (0.46) ABL1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3196237 0.81 CNR1 (0.44) ABL1CNR1MEN1KMT2ACYP1A2
SCHEMBL3198889 0.81 AGPAT2 (0.52) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3193595 0.81 CNR1 (0.51) ABL1CNR1MEN1KMT2ACYP1A2
SCHEMBL3183353 0.80 CNR1 (0.54) ABL1CNR1MEN1KMT2ACYP1A2
SCHEMBL3201639 0.78 KDR (0.62) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL3202582 0.76 ADORA2A (0.43) ABL1MEN1KMT2AALDH1A1POLB

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 ABL1 2029/4885CNR1 74/4885MEN1 3366/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ABL1 2029/4885CNR1 74/4885MEN1 3366/4885

“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.