SCHEMBL4137939

SCHEMBL4137939

Fc1cccc(-c2n[nH]c3cccnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.57
CLK2 P49760 3/20 0.52
CLK3 P49761 3/20 0.52
DYRK1A Q13627 3/20 0.52
ITK Q08881 5/20 0.50
TDO2 P48775 1/20 0.47
WNT1 P04628 2/20 0.46
TGFBR1 P36897 2/20 0.46
MAP2K4 P45985 1/20 0.45
HTR7 P34969 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL2468376 0.83 GRM4 (0.57) GRM4ITKMAP2K4
SCHEMBL15349490 0.80 KDM4E (0.58) GRM4CLK2DYRK1AITK
SCHEMBL4149447 0.79 CLK2 (0.47) CLK2CLK3DYRK1AMAP2K4HTR7
SCHEMBL4143612 0.79 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL4146193 0.79 CLK2 (0.50) CLK2CLK3DYRK1AMAP2K4HTR7
SCHEMBL2860957 0.78 AURKA (0.66) ITKTDO2MAP2K4HTR7
SCHEMBL4145506 0.76 CLK2 (0.45) CLK2CLK3DYRK1AMAP2K4HTR7
SCHEMBL4151622 0.76 DYRK1A (0.55) CLK2CLK3DYRK1AITKMAP2K4
SCHEMBL14516332 0.76 AURKA (0.59) CLK2CLK3DYRK1AITKTDO2
SCHEMBL4146418 0.76 ITK (0.61) GRM4ITK

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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B GRM4 1775/4885CLK2 125/4885CLK3 141/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B GRM4 1386/4885CLK2 133/4885CLK3 139/4885

“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.