SCHEMBL3558058

SCHEMBL3558058

CCOC(=O)C1(c2c(C#N)nn(-c3c(Cl)cc(OC(F)(F)F)cc3Cl)c2NCC2CC2)CC1(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 2/20 0.33
PIM1 P11309 7/20 0.32
PIM2 Q9P1W9 3/20 0.31
P2RY1 P47900 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL3556487 0.90 FFAR4 (0.33) PIM1PIM2GABRPGABRDGABRA1
SCHEMBL3555159 0.89 GABRP (0.33) PIM1PIM2GABRPGABRDGABRA1
SCHEMBL1752438 0.84 GABRP (0.41) P2RY1GABRPGABRDGABRA1GABRB1
SCHEMBL1751647 0.81 FFAR4 (0.33) PIM1PIM2GABRPGABRDGABRA1
SCHEMBL3564170 0.78
SCHEMBL3559661 0.76 FFAR4 (0.32)
SCHEMBL1752381 0.74 GABRP (0.33) P2RY1GABRPGABRDGABRA1GABRB1
SCHEMBL1751129 0.74 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751513 0.74 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751986 0.73 GABRP (0.33) SLC34A1P2RY1GABRPGABRDGABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 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 (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-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 SLC34A1 941/4885PIM1 290/4885PIM2 215/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 SLC34A1 843/4885PIM1 1139/4885PIM2 1226/4885

“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.