SCHEMBL3190789

SCHEMBL3190789

CC(c1ccccc1)N1CC(=O)C(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSD11B1 P28845 2/20 0.43
MAPK1 P28482 6/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL3190794 1.00 KMT2A (0.44) KMT2ACYP2D6HSD11B1MAPK1ALDH1A1
SCHEMBL373948 0.85 HSD11B1 (0.46) KMT2ACYP2D6HSD11B1MAPK1ALDH1A1
SCHEMBL769875 0.85 HSD11B1 (0.46) KMT2ACYP2D6HSD11B1MAPK1ALDH1A1
SCHEMBL13483585 0.82 HSD11B1 (0.44) KMT2ACYP2D6HSD11B1MAPK1ALDH1A1
SCHEMBL20183391 0.82 KMT2A (0.42) KMT2ACYP2D6HSD11B1MAPK1
SCHEMBL3189307 0.82 KMT2A (0.42) KMT2ACYP2D6HSD11B1MAPK1
SCHEMBL3189312 0.82 KMT2A (0.42) KMT2ACYP2D6HSD11B1MAPK1
SCHEMBL20183392 0.82 KMT2A (0.42) KMT2ACYP2D6HSD11B1MAPK1
SCHEMBL785824 0.74 KMT2A (0.41) KMT2ACYP2D6HSD11B1MAPK1ALDH1A1
SCHEMBL769859 0.74 KMT2A (0.41) KMT2ACYP2D6HSD11B1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
EP-0488227-B1 Optically active pyridobenzoxazine derivatives DAIICHI SEIYAKU CO (JP) 1997-02-26 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5463053-A Antimicrobial compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-10-31 US disclosed
EP-0488227-A2 Optically active pyridobenzoxazine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-06-03 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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 KMT2A 1054/4885CYP2D6 1311/4885HSD11B1 988/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 KMT2A 2046/4885CYP2D6 1607/4885HSD11B1 2049/4885

“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.