SCHEMBL17853493

SCHEMBL17853493

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-c4ccccn4)c4ccccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPP1CA P62136 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PTK2B Q14289 1/20 0.39
▸ MAPK14 Q16539 1/20 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
SCHEMBL17853497 0.96 TSHR (0.42) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL24752729 0.95 MAPK1 (0.41) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL17853494 0.95 TSHR (0.43) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL12579405 0.93 DHODH (0.46) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL17853487 0.93 DHODH (0.46) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL26431896 0.92 METAP1 (0.39) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL17853563 0.91 DHODH (0.45) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL17853502 0.91 DHODH (0.45) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL17853545 0.91 DHODH (0.45) TSHRHSD17B10MAPK1MAPTKMT2A
SCHEMBL15394838 0.91 KMT2A (0.43) TSHRHSD17B10MAPK1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040335-B1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2019-04-03 — — EP 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
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 TSHR 4068/4885HSD17B10 4072/4885MAPK1 319/4885

“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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