SCHEMBL17853573

SCHEMBL17853573

c1cncc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4c5ccccc5cc5ccccc45)n3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 4/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.39
▸ AOC3 Q16853 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ G6PD P11413 1/20 0.35
▸ MKNK1 Q9BUB5 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ CYP2B6 P20813 1/20 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
SCHEMBL17853577 0.93 DHODH (0.42) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853578 0.91 DHODH (0.46) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853561 0.88 DHODH (0.50) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853486 0.88 DHODH (0.50) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19397646 0.88 DHODH (0.50) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853693 0.88 DHODH (0.50) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853546 0.88 DHODH (0.50) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853574 0.88 DHODH (0.40) DHODHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17853564 0.88 DHODH (0.50) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL24810938 0.88 KDM4E (0.46) DHODHMAPTKDM4EATML3MBTL1

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 DHODH 3921/4885CYP11B1 2679/4885CYP11B2 2873/4885

“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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