SCHEMBL697472

SCHEMBL697472

Cc1cccc([C@H](C)c2nccn2Cc2ccccc2C(F)(F)F)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.41
P2RX7 Q99572 5/20 0.40
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
KMT2A Q03164 1/20 0.37
ALOX5AP P20292 1/20 0.37
YTHDC1 Q96MU7 1/20 0.36
TP53 P04637 1/20 0.35
C5AR1 P21730 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL698285 0.87 P2RX7 (0.42) ADRA2CP2RX7TDP1ALDH1A1KMT2A
SCHEMBL702942 0.87 P2RX7 (0.44) ADRA2CP2RX7TDP1ALDH1A1HSP90AA1
SCHEMBL697585 0.87 ADRA2C (0.53) ADRA2CP2RX7TDP1ALDH1A1GAA
SCHEMBL698377 0.85 ADRA2C (0.44) ADRA2CTDP1KDM4EHSP90AA1HSP90B1
SCHEMBL697584 0.84 KCNH2 (0.41) ADRA2CP2RX7TDP1ALDH1A1KMT2A
SCHEMBL698465 0.84 ADRA2C (0.44) ADRA2CTDP1ALDH1A1HSP90AA1HSP90B1
SCHEMBL699063 0.84 ADRA2C (0.42) ADRA2CTDP1ALDH1A1KMT2ATP53
SCHEMBL697058 0.82 ADRA2C (0.40) ADRA2CP2RX7TDP1ALDH1A1KMT2A
SCHEMBL697746 0.81 P2RX7 (0.39) P2RX7TDP1KMT2ATP53KCNH2
SCHEMBL696014 0.81 TDP1 (0.41) P2RX7TDP1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885P2RX7 671/4885TDP1 2820/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885P2RX7 671/4885TDP1 2820/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885P2RX7 671/4885TDP1 2820/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885P2RX7 671/4885TDP1 2820/4885

“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.