SCHEMBL18188070

SCHEMBL18188070

Nc1ncccc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 4/20 0.71
▸ MKNK1 Q9BUB5 3/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ MAOA P21397 1/20 0.45
▸ MAP3K8 P41279 2/20 0.43
▸ USP7 Q93009 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39

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
SCHEMBL623411 0.86 MAP4K4 (0.61) MAP4K4MKNK1MKNK2USP7CDK1
SCHEMBL1148699 0.86 MAP4K4 (0.66) MAP4K4MKNK1MKNK2USP7CDK1
SCHEMBL4582777 0.80 MAP4K4 (0.69) MAP4K4MKNK1MKNK2CDK1CDK2
SCHEMBL4582784 0.80 MAP4K4 (0.69) MAP4K4MKNK1MKNK2MAP2K1NOS3
SCHEMBL12100759 0.80 MAP4K4 (0.46) MAP4K4MAOAMAP3K8USP7MAPK1
SCHEMBL31145789 0.78 MAP3K8 (0.49) MAP4K4MKNK1MKNK2MAP3K8MAPK1
SCHEMBL625444 0.78 MAP4K4 (0.57) MAP4K4MKNK1MKNK2FEN1
SCHEMBL623802 0.78 FEN1 (0.52) MAP4K4MKNK1MKNK2FEN1
SCHEMBL624380 0.78 MAP4K4 (0.57) MAP4K4MKNK1MKNK2USP7NOS3
SCHEMBL28827012 0.78 MAP4K4 (0.43) MAP4K4MAOAMAPK1PIK3CAPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10700308-B2 Aromatic amine compound, light-emitting element materials and light-emitting element TORAY INDUSTRIES, INC. (JP) 2020-06-30 — — US disclosed
EP-3088403-B1 AROMATIC AMINE COMPOUND FOR LIGHT-EMITTING ELEMENT TORAY INDUSTRIES (JP) 2020-02-12 — — EP disclosed
US-20160322606-A1 AROMATIC AMINE COMPOUND, LIGHT-EMITTING ELEMENT MATERIALS AND LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2016-11-03 — — US disclosed
EP-3088403-A1 AROMATIC AMINE COMPOUND, LIGHT-EMITTING ELEMENT MATERIALS AND LIGHT-EMITTING ELEMENT Toray Industries, Inc. (JP) 2016-11-02 — — EP 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 (2 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-10700308-B2 Aromatic amine compound, light-emitting element materials and light-emitting element TYR, LAMP1, MAP1LC3B MAP4K4 1862/4885MKNK1 3587/4885MKNK2 3595/4885
US-20160322606-A1 AROMATIC AMINE COMPOUND, LIGHT-EMITTING ELEMENT MATERIALS AND LIGHT-EMITTING ELEMENT TYR, LAMP1, MAP1LC3B MAP4K4 1862/4885MKNK1 3587/4885MKNK2 3595/4885

“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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