SCHEMBL13506993

SCHEMBL13506993

Cn1c2cc(-c3cccnc3)ccc2c2c3ccc4c(c3ccc21)c1ccc(-c2cccnc2)cc1n4C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.46
▸ CHEK1 O14757 2/20 0.45
▸ CYP11B2 P19099 5/20 0.45
▸ CYP11B1 P15538 4/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43

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
SCHEMBL13507871 0.87 CYP11B2 (0.49) NR4A2CHEK1CYP11B2CYP11B1HTR1D
SCHEMBL20128557 0.82 CYP11B2 (0.47) NR4A2CHEK1CYP11B2CYP11B1HTR1D
SCHEMBL13507562 0.81 MAOB (0.51) NR4A2MAOAGRM2JAK2LIMK1
SCHEMBL13506802 0.77 MAPK14 (0.40) MAOAMAP4K4
SCHEMBL2721311 0.77 DRD2 (0.49) NR4A2CHEK1CYP11B2CYP11B1HTR1D
SCHEMBL768881 0.76 MAPK14 (0.58) NR4A2CHEK1CYP11B2CYP11B1HTR1D
SCHEMBL20033220 0.75 CYP11B2 (0.56) NR4A2CHEK1CYP11B2CYP11B1ALDH1A1
SCHEMBL20033221 0.75 DRD2 (0.48) NR4A2CHEK1CYP11B2CYP11B1HTR1D
SCHEMBL13506860 0.75 RXRA (0.47) NR4A2GRM2ALDH1A1LIMK1
SCHEMBL13507038 0.74 RXRA (0.39) MAOAALDH1A1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 NR4A2 852/4885CHEK1 4743/4885CYP11B2 781/4885

“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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