SCHEMBL405644

SCHEMBL405644

CCOC(=O)c1[nH]c(C)c(Br)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.47
ATM Q13315 2/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.45
BRD4 O60885 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL402460 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL509766 0.81 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL404313 0.80 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL399174 0.78 ATM (0.49) HPGDKDM4EATMALDH1A1MAPT
SCHEMBL2026881 0.78 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3405307 0.78 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL15841277 0.76 KDM4E (0.40) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL3120027 0.76 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL18125047 0.75 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL17426101 0.74 MAPT (0.44) CYP1A2CYP2C9CYP2C19HPGDKDM4E

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-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
EP-2379545-A1 2- (PIPERIDIN-1-YL) -4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010067125-A1 2- (PIPERIDIN-1-YL) -4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010067125-A1 2- (PIPERIDIN-1-YL) -4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS PIR, TLR5, ALPI CYP1A2 194/4885CYP2C9 154/4885CYP2C19 75/4885

“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.