SCHEMBL697526

SCHEMBL697526

Cc1cccc([C@H](C)c2nccn2Cc2ccccc2C#N)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
ADRA2C P18825 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
ADORA2A P29274 1/20 0.37
ALOX5AP P20292 1/20 0.37
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGR P06401 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL697585 0.87 ADRA2C (0.53) ADRA2CTSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL698465 0.84 ADRA2C (0.44) ADRA2CTSHRALDH1A1MAPTBRD4
SCHEMBL703015 0.83 PPARG (0.39) ADORA2ATDP1
SCHEMBL698377 0.83 ADRA2C (0.44) CYP19A1ADRA2CTDP1KMT2A
SCHEMBL699063 0.81 ADRA2C (0.42) ADRA2CTSHRALDH1A1MAPTTDP1
SCHEMBL697166 0.81 TDP1 (0.51) ADRA2CTSHRALDH1A1MAPTTDP1
SCHEMBL698557 0.80 KCNH2 (0.35) ADRA2CTSHRTDP1
SCHEMBL697472 0.80 ADRA2C (0.41) ADRA2CALDH1A1ALOX5APTDP1KMT2A
SCHEMBL695900 0.80 TDP1 (0.54) ADRA2CBRD4TDP1KMT2A
SCHEMBL696289 0.80 TDP1 (0.54) ADRA2CBRD4TDP1KMT2A

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 CYP19A1 1985/4885ADRA2C 144/4885TSHR 3443/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ADRA2C 144/4885TSHR 3443/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ADRA2C 144/4885TSHR 3443/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ADRA2C 144/4885TSHR 3443/4885

“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.