SCHEMBL5220491

SCHEMBL5220491

N#CSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NCc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 14/20 0.40
GABRA2 P47869 14/20 0.40
GABRB2 P47870 14/20 0.40
GABRP O00591 11/20 0.40
GABRD O14764 11/20 0.40
GABRA1 P14867 11/20 0.40
GABRB1 P18505 11/20 0.40
GABRG2 P18507 11/20 0.40
GABRA5 P31644 11/20 0.40
GABRA3 P34903 11/20 0.40
GABRA4 P48169 11/20 0.40
GABRE P78334 11/20 0.40
GABRA6 Q16445 11/20 0.40
GABRG1 Q8N1C3 11/20 0.40
GABRG3 Q99928 11/20 0.40
GABRQ Q9UN88 11/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5217113 0.91 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13892510 0.91 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27602 0.90 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL16118103 0.90 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5213914 0.82 GABRP (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5219374 0.82 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
Pyriprole SCHEMBL19032727 0.81 GABRP (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4855148 0.81 GABRP (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14208660 0.79 GABRP (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL678537 0.79 VNN1 (0.31) VNN1

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 4 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
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
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.