SCHEMBL6311452

SCHEMBL6311452

N=C(N)NC(=O)c1cnn(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NTRK1 P04629 1/20 0.45
NTRK2 Q16620 1/20 0.45
ADAMTS7 Q9UKP4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 2/20 0.42
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PKM P14618 1/20 0.39
ADORA2B P29275 1/20 0.39
KAT2B Q92831 1/20 0.39

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
SCHEMBL6399279 0.80 KDM4E (0.56) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL6464483 0.79 HDAC1 (0.55) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL1752087 0.76 P2RX7 (0.53) HDAC1NPC1RAB9ANTRK1NTRK2
Hydrochloric Acid SCHEMBL6312370 0.74 MAPT (0.44) HDAC1NPC1KDM4EHSD17B10ALDH1A1
SCHEMBL6311461 0.74 SLC9A1 (0.51) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL6263442 0.73 KDM4E (0.67) HDAC1KDM4EHSD17B10MEN1ALDH1A1
SCHEMBL32674134 0.73 MAPT (0.59) HDAC1NPC1RAB9ANTRK1NTRK2
Hydrochloric Acid SCHEMBL6313762 0.72 KDM4E (0.65) HDAC1KDM4EHSD17B10MEN1ALDH1A1
SCHEMBL6312919 0.72 ALDH1A1 (0.51) HDAC1KDM4EHSD17B10MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6313769 0.72 KDM4E (0.47) HDAC1KDM4EHSD17B10MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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 (1 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 HDAC1 251/4885NPC1 264/4885RAB9A 2117/4885

“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.