SCHEMBL697904

SCHEMBL697904

C=C(c1ncc[nH]1)c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
BCHE P06276 1/20 0.42
F2RL1 P55085 6/20 0.37
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
GLA P06280 1/20 0.33
MAPK7 Q13164 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL703857 0.86 KMT2A (0.39) KMT2AF2RL1CSNK1A1TYRO3DYRK1B
SCHEMBL1573433 0.83 KMT2A (0.37) KMT2ACES2CES1F2RL1CSNK1A1
SCHEMBL722012 0.83 KMT2A (0.59) KMT2ACES2CES1BCHEF2RL1
SCHEMBL697432 0.82 TAAR1 (0.44) KMT2ANPC1RAB9A
SCHEMBL11266816 0.77 KMT2A (0.47) KMT2AF2RL1CSNK1A1TYRO3DYRK1B
SCHEMBL696873 0.76 KMT2A (0.55) KMT2AF2RL1CSNK1A1TYRO3DYRK1B
SCHEMBL697619 0.76 KMT2A (0.41) KMT2AF2RL1CSNK1A1TYRO3DYRK1B
SCHEMBL697291 0.75 KMT2A (0.46) KMT2ACSNK1A1TYRO3DYRK1BHTT
SCHEMBL698757 0.75 KMT2A (0.43) KMT2ACSNK1A1TYRO3DYRK1BHTT
SCHEMBL11137294 0.74 NPC1 (0.42) KMT2ACSNK1A1TYRO3DYRK1BHTT

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 KMT2A 945/4885CES2 722/4885CES1 1830/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885CES2 722/4885CES1 1830/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885CES2 722/4885CES1 1830/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885CES2 722/4885CES1 1830/4885

“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.