SCHEMBL6313558

SCHEMBL6313558

Cc1cn(-c2ccccc2)nc1C(=O)NC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DGAT1 O75907 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CTSA P10619 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
CDK2 P24941 2/20 0.41
PKM P14618 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 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
Hydrochloric Acid SCHEMBL6313068 0.99 DGAT1 (0.49) ALDH1A1GAAPOLBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6314040 0.86 KMT2A (0.42) ALDH1A1GAAPOLBMAPTL3MBTL1
SCHEMBL29794622 0.81 DGAT1 (0.55) ALDH1A1GAAPOLBMAPTL3MBTL1
SCHEMBL6312315 0.81 MAPT (0.51) ALDH1A1GAAPOLBMAPTL3MBTL1
SCHEMBL13858409 0.81 KDM4E (0.55) ALDH1A1GAAPOLBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6312265 0.80 MAPT (0.50) ALDH1A1GAAPOLBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6315024 0.79 ALDH1A1 (0.45) ALDH1A1GAAPOLBMAPTL3MBTL1
SCHEMBL4302959 0.78 CYP2C9 (0.56) ALDH1A1GAAPOLBMAPTL3MBTL1
SCHEMBL6263442 0.77 KDM4E (0.67) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL16217008 0.76 NPC1 (0.52) ALDH1A1GAAPOLBMAPTL3MBTL1

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-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 claimed
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 claimed
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 claimed
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

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 ALDH1A1 642/4885GAA 794/4885POLB 2803/4885

“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.