SCHEMBL5220202

SCHEMBL5220202

N#Cc1cc(NCc2cnccn2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 15/20 0.42
GABRA2 P47869 12/20 0.42
GABRB2 P47870 12/20 0.42
GABRP O00591 8/20 0.42
GABRD O14764 8/20 0.42
GABRA1 P14867 8/20 0.42
GABRB1 P18505 8/20 0.42
GABRG2 P18507 8/20 0.42
GABRA5 P31644 8/20 0.42
GABRA3 P34903 8/20 0.42
GABRA4 P48169 8/20 0.42
GABRE P78334 8/20 0.42
GABRA6 Q16445 8/20 0.42
GABRG1 Q8N1C3 8/20 0.42
GABRG3 Q99928 8/20 0.42
GABRQ Q9UN88 8/20 0.42
VNN1 O95497 2/20 0.39
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4852573 0.87 RAB9A (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4033423 0.83 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5212709 0.82 VNN1 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5214720 0.80 GRM5 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL16118103 0.79 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5220491 0.78 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13892510 0.78 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5217113 0.78 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27602 0.77 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5219374 0.77 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD

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
EP-1197492-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIHON NOHYAKU CO LTD (JP) 2007-09-05 EP disclosed
US-6849633-B2 Pyrazole derivative, production process thereof, and pest control agent containing the same as active ingredient NIHON NOHYAKU CO., LTD. (JP) 2005-02-01 US disclosed
CN-1160349-C Pyrazole derivatives and processes for producing the same, and pesticides containing the same as the active ingredient �ձ��ݶ�ũҩ��ʽ���� 2004-08-04 CN disclosed
US-20030060471-A1 Pyrazle derivative, production process thereof, and pest control agent containing the same as ative ingredient MITSUBISHI CHEMICAL CORPORATION (JP) 2003-03-27 US disclosed
CN-1371373-A Pyrazole derivative, process for producing the same, and pest control agent containing the same as active ingredient MITSUBISHI CHEM CORP (JP) 2002-09-25 CN disclosed
EP-1197492-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-17 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 (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-20030060471-A1 Pyrazle derivative, production process thereof, and pest control agent containing the same as ative ingredient ATIC, CYP4X1, AGPS GABRB3 2372/4885GABRA2 2690/4885GABRB2 2120/4885

“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.