SCHEMBL16583136

SCHEMBL16583136

CCS(CC)=NC(=O)c1cc(C(F)(F)F)cc(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ TMPRSS4 Q9NRS4 1/20 0.35
▸ GABRA2 P47869 5/20 0.35
▸ GABRB2 P47870 5/20 0.35
▸ GABRP O00591 4/20 0.35
▸ GABRD O14764 4/20 0.35
▸ GABRA1 P14867 4/20 0.35
▸ GABRB1 P18505 4/20 0.35
▸ GABRG2 P18507 4/20 0.35
▸ GABRB3 P28472 4/20 0.35
▸ GABRA5 P31644 4/20 0.35
▸ GABRA3 P34903 4/20 0.35
▸ GABRA4 P48169 4/20 0.35
▸ GABRE P78334 4/20 0.35
▸ GABRA6 Q16445 4/20 0.35
▸ GABRG1 Q8N1C3 4/20 0.35
▸ GABRG3 Q99928 4/20 0.35
▸ GABRQ Q9UN88 4/20 0.35

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
SCHEMBL14976709 0.86 GABRP (0.36) P2RX1P2RX4P2RX7TMPRSS4GABRA2
SCHEMBL14977037 0.84 NOTUM (0.35) ALDH1A1HPGDKDM4E
SCHEMBL14976460 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL14976540 0.81 KMT2A (0.38) P2RX1P2RX4P2RX7TMPRSS4GABRA2
SCHEMBL14975922 0.78 AKR1B10 (0.35) TMPRSS4ALDH1A1CYP3A4HPGDMAPT
SCHEMBL14976373 0.76 ADRA1D (0.34) P2RX7ALDH1A1HPGDGPR35KDM4E
SCHEMBL16529477 0.75 GABRP (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL16529671 0.75 KDM4E (0.50) P2RX1P2RX4P2RX7TMPRSS4GABRA2
SCHEMBL11625854 0.75 P2RX1 (0.39) P2RX1P2RX4P2RX7TMPRSS4GABRA2
Hydrochloric Acid SCHEMBL11625860 0.73 ALDH1A1 (0.49) P2RX1P2RX4P2RX7TMPRSS4GABRA2

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-9556141-B2 Process for preparing N-substituted 1H-pyrazole-5-carboxylate compounds and derivatives thereof BASF SE (DE) 2017-01-31 — — US disclosed
EP-2782910-B1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLATE COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-02-03 — — EP disclosed
US-20150087843-A1 Process for preparing N-substituted 1H-pyrazole-5-carboxylate compounds and derivatives thereof BASF SE (DE) 2015-03-26 — — 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 (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-20150087843-A1 Process for preparing N-substituted 1H-pyrazole-5-carboxylate compounds and derivatives thereof CA5B, CA5A, PC P2RX1 1209/4885P2RX4 874/4885P2RX7 1191/4885

“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.

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