SCHEMBL3575055

SCHEMBL3575055

CCOC(=O)c1ccn(-c2cccc(Nc3ccc(Cl)cc3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
DHODH Q02127 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
EGFR P00533 1/20 0.41
SLC2A1 P11166 1/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL3578621 0.83 CNR1 (0.48) DHODHCNR1CNR2EGFRCYP1A2
SCHEMBL19690886 0.83 HTT (0.43) HTTDHODHEGFRSLC2A1GABRA2
SCHEMBL3583947 0.82 CNR1 (0.45) CNR1CNR2EGFRCYP1A2KDM4E
SCHEMBL19690881 0.81 SLC2A1 (0.44) HTTSLC2A1GABRA2GABRB2KDM4E
SCHEMBL19690821 0.80 SLC2A1 (0.46) HTTDHODHEGFRSLC2A1GABRA2
SCHEMBL3577056 0.76 CNR1 (0.45) HTTCNR1CNR2EGFRKDM4E
SCHEMBL15754911 0.76 NPC1 (0.60) GABRA2GABRB2CYP1A2KDM4EKMT2A
SCHEMBL19690924 0.75 HSD17B10 (0.55) KDM4EKMT2AALDH1A1GAAMEN1
SCHEMBL19691042 0.73 ALDH1A1 (0.43) SLC2A1GABRA2GABRB2KDM4EKMT2A
SCHEMBL28546720 0.73 CYP1A2 (0.64) HTTDHODHSLC2A1CYP1A2KDM4E

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
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US claimed
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US disclosed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP disclosed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 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-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA3, KCNQ1 HTT 1737/4885DHODH 2607/4885CNR1 608/4885

“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.