SCHEMBL3201639

SCHEMBL3201639

CC(=N)Nc1ccc2oc(-c3ccccc3Cl)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.62
TP53 P04637 7/20 0.60
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 4/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 3/20 0.60
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
MAPT P10636 6/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL3207301 0.90 CASP3 (0.53) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3183505 0.86 MAPT (0.67) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3194115 0.85 NPC1 (0.68) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3204607 0.83 MAPT (0.66) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL2246997 0.82 NPC1 (0.73) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3196281 0.82 ALDH1A1 (0.76) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2247182 0.81 AGPAT2 (0.74) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3190500 0.81 MAPT (0.64) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3198920 0.80 CASP3 (0.69) KDRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3191910 0.80 MAPT (0.61) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP 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-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 KDR 4122/4885TP53 4810/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 KDR 4122/4885TP53 4810/4885NPC1 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.