SCHEMBL14976373

SCHEMBL14976373

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 5/20 0.34
▸ GPR35 Q9HC97 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GLA P06280 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ FLT1 P17948 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ MRGPRX4 Q96LA9 2/20 0.31
▸ SETD7 Q8WTS6 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ AR P10275 1/20 0.30

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
SCHEMBL14976051 0.86 FLT1 (0.34) ADRA1DGPR35KDM4EALDH1A1GLA
SCHEMBL14976966 0.85 KDM4E (0.34) ADRA1DGPR35KDM4EALDH1A1
SCHEMBL14976460 0.81 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14976103 0.81 ADRA1D (0.34) ADRA1DGPR35KDM4EALDH1A1GLA
SCHEMBL16583136 0.76 P2RX1 (0.35) GPR35KDM4EALDH1A1HPGDMRGPRX4
SCHEMBL28057064 0.75 LMNA (0.40) GPR35ALDH1A1FLT1FLT4KDR
SCHEMBL27816654 0.75 AKR1C2 (0.41) GPR35KDM4EALDH1A1GAAFLT1
SCHEMBL28056987 0.73 FLT1 (0.40) GPR35FLT1FLT4KDRPDK1
SCHEMBL14698422 0.71 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16583090 0.70 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD

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 5 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
EP-2782910-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLATE COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-10-01 — — EP disclosed
WO-2013076092-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLATE COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2013-05-30 — — WO 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 ADRA1D 3348/4885GPR35 1707/4885KDM4E 2314/4885

“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.

Send feedback