SCHEMBL21640779

SCHEMBL21640779

CC(=O)Nc1cnn(C2CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.49
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.38
CLK2 P49760 2/20 0.38
LRRK2 Q5S007 2/20 0.38
ALDH1A1 P00352 4/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NAMPT P43490 1/20 0.38
SLC6A9 P48067 1/20 0.38
CCR5 P51681 1/20 0.37
RORC P51449 1/20 0.37
TAS2R8 Q9NYW2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18765288 0.79 OPRD1 (0.44) KMT2AACHEALDH1A1SLC6A9CCR5
SCHEMBL18764813 0.79 OPRD1 (0.49) KMT2AACHEALDH1A1SLC6A9CCR5
SCHEMBL18577951 0.77 OGA (0.42) OGACCR5CYP3A4CYP2D6CYP2C9
SCHEMBL21641087 0.77 OPRD1 (0.46) KMT2AACHEALDH1A1SLC6A9CCR5
SCHEMBL21640161 0.74 OPRL1 (0.39) KMT2AALDH1A1CYP2D6GAA
SCHEMBL4285440 0.74 OGA (0.53) OGAHSD17B10ACHECLK2LRRK2
SCHEMBL21640616 0.74 OGA (0.49) OGAKMT2ASLC6A9CCR5CYP3A4
SCHEMBL21641112 0.74 OGA (0.41) OGAKMT2AALDH1A1SLC6A9
SCHEMBL21640831 0.72 F2 (0.42) KMT2AALDH1A1CYP3A4CYP2C9GAA
Hydrochloric Acid SCHEMBL21640209 0.71 OGA (0.46) OGACLK2LRRK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 OGA 4398/4885KMT2A 2507/4885POLB 3691/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 OGA 4109/4885KMT2A 2313/4885POLB 3386/4885

“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.