SCHEMBL17853570

SCHEMBL17853570

c1cncc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc5ccccc45)n3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DHODH Q02127 2/20 0.43
▸ CYP11B1 P15538 2/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ BMX P51813 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ USP1 O94782 4/20 0.37
▸ WDR48 Q8TAF3 4/20 0.37

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
SCHEMBL17853593 0.90 DHODH (0.41) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL19397653 0.90 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL17853586 0.89 CYP11B1 (0.53) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL17853584 0.89 DHODH (0.40) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL17853571 0.89 MAPT (0.43) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL24812017 0.88 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL17853602 0.88 USP1 (0.49) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL17853546 0.87 DHODH (0.50) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL17853564 0.87 DHODH (0.50) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL17853486 0.87 DHODH (0.50) KDM4EALDH1A1MAPTHPGDRAB9A

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 KDM4E 2180/4885ALDH1A1 408/4885MAPT 2833/4885

“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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