SCHEMBL17853618

SCHEMBL17853618

c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3-c3ccccn3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GRM5 P41594 7/20 0.40
▸ MAPK14 Q16539 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 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
SCHEMBL9968534 0.91 METAP1 (0.41) TSHRMAPK1HSD17B10GRM5NPC1
SCHEMBL17853494 0.91 TSHR (0.43) TSHRMAPK1HSD17B10GRM5MAPK14
SCHEMBL17853625 0.90 DHODH (0.44) TSHRMAPK1HSD17B10GRM5NPC1
SCHEMBL17853605 0.89 HTR1A (0.41) TSHRMAPK1HSD17B10GRM5NPC1
SCHEMBL18820837 0.89 KDM4E (0.41) TSHRMAPK1SMN1; SMN2KDM4EATM
SCHEMBL17853628 0.87 MAPK13 (0.37) MAPK14SMN1; SMN2KDM4EATML3MBTL1
SCHEMBL17853497 0.87 TSHR (0.42) TSHRMAPK1HSD17B10GRM5MAPK14
SCHEMBL30107847 0.86 NPY5R (0.42) TSHRMAPK1HSD17B10GRM5NPC1
SCHEMBL17853493 0.86 TSHR (0.43) TSHRMAPK1HSD17B10MAPK14NPC1
SCHEMBL17853601 0.86 MAPT (0.44) TSHRMAPK1HSD17B10MAPK14NPC1

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 TSHR 4068/4885MAPK1 319/4885HSD17B10 4072/4885

“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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