SCHEMBL8501299

SCHEMBL8501299

COCCCOc1ccnc(CSc2nc3cc(C)ccc3[nH]2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 5/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
WDR5 P61964 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DDAH1 O94760 1/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
IDE P14735 1/20 0.48
HPGD P15428 1/20 0.48
ADRA2B P18089 1/20 0.48
TBXA2R P21731 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL8503057 0.90 CYP2C9 (0.53) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8504230 0.90 CYP2C9 (0.53) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8501930 0.89 CYP2C9 (0.53) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31361959 0.88 CYP2C9 (0.52) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1306777 0.88 RAB9A (0.71) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29538889 0.88 RAB9A (0.71) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8503506 0.88 CYP2C9 (0.60) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL26762358 0.87 CYP1A2 (0.59) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9026970 0.87 CYP1A2 (0.54) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31361965 0.87 CYP2C9 (0.50) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070942-A1 PRAZOLE DERIVATIVES AND SALTS THEREOF AND USE OF SAME JIANGSU HANSEN PHARMACEUTICAL CO., LTD. (CN) 2008-03-20 US disclosed
US-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 EP disclosed
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 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-20080070942-A1 PRAZOLE DERIVATIVES AND SALTS THEREOF AND USE OF SAME SLC10A2, GIPR, CACNA1E CYP2C9 96/4885CYP1A2 101/4885CYP3A4 103/4885

“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.