Sugi Predict

Sugi Predict / Compounds / SCHEMBL15315979

SCHEMBL15315979

SCHEMBL15315979

Cc1ccc(-n2ccnc2-c2ccc3oc4ccccc4c3c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL280259 0.85 MAPK9 (0.45) MAPK9MAPK10MAPTNPC1ALDH1A1
SCHEMBL10035820 0.84 MAPK9 (0.49) MAPK9MAPK10MAPTNPC1ALDH1A1
SCHEMBL13450212 0.83 MAPT (0.46) MAPK9MAPK10MAPTNPC1ALDH1A1
SCHEMBL280454 0.81 MAPK9 (0.49) MAPK9MAPK10KDRMAOAMAPKAPK2
SCHEMBL10035826 0.80 KDR (0.40) MAPK9MAPK10MAPTNPC1ALDH1A1
SCHEMBL10035818 0.79 MAPK9 (0.52) MAPK9MAPK10KDRMAOAMAPKAPK2
SCHEMBL280119 0.79 MAPK9 (0.47) MAPK9MAPK10KDRMAOAMAPKAPK2
SCHEMBL20732577 0.79 MAPK9 (0.49) MAPK9MAPK10MAPTNPC1ALDH1A1
SCHEMBL10035811 0.78 KDR (0.38) MAPTNPC1ALDH1A1KDRMAOA
SCHEMBL15316002 0.78 GABRP (0.40) MAPTTP53NPC1ALDH1A1NPSR1

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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 — — US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 — — 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L MAPK9 1332/4885MAPK10 2857/4885MAPT 2892/4885

“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.