SCHEMBL14976103

SCHEMBL14976103

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 4/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ GPR35 Q9HC97 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ 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
▸ FFAR1 O14842 1/20 0.31
▸ GLA P06280 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
SCHEMBL14976051 0.86 FLT1 (0.34) ADRA1DADRA1AADRA2BADRA1BGPR35
SCHEMBL14977182 0.85 KDM4E (0.37) KDM4E
SCHEMBL14977388 0.81 ALDH1A1 (0.47) KDM4EALDH1A1GAAHPGDNPSR1
SCHEMBL14976373 0.81 ADRA1D (0.34) ADRA1DADRA1AADRA2BGPR35KDM4E
SCHEMBL27816654 0.78 AKR1C2 (0.41) GPR35KDM4EALDH1A1GAAACLY
SCHEMBL14976540 0.76 KMT2A (0.38) GPR35KDM4EALDH1A1GAAHPGD
SCHEMBL28056987 0.73 FLT1 (0.40) GPR35ACLYFLT1FLT4KDR
SCHEMBL15754618 0.71 KDM4E (0.40) KDM4EALDH1A1GAAHPGDNPSR1
SCHEMBL16583066 0.70 CYP3A4 (0.36) KDM4EALDH1A1GAAHPGDNPSR1
SCHEMBL14976934 0.70 KDM4E (0.38) KDM4EALDH1A1HPGD

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 3348/4885ADRA1A 3099/4885ADRA2B 3404/4885

“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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