SCHEMBL20183457

SCHEMBL20183457

C[C@H](c1ccccc1)N1C[C@@H](N)C(C)(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 6/20 0.38
KCNA5 P22460 1/20 0.36
MC4R P32245 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
SCHEMBL20183458 1.00 KMT2A (0.47) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL3188417 1.00 KMT2A (0.47) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL3194067 1.00 KMT2A (0.47) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL20183374 1.00 KMT2A (0.47) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL20183376 1.00 KMT2A (0.47) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL769600 0.84 KMT2A (0.46) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL9053090 0.84 KMT2A (0.46) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL9053086 0.84 KMT2A (0.46) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL3197183 0.81 KMT2A (0.44) KMT2AHSD11B1CYP2D6ALDH1A1HPGD
SCHEMBL3197180 0.81 KMT2A (0.44) KMT2AHSD11B1CYP2D6ALDH1A1HPGD

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
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
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 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 1054/4885HSD11B1 988/4885CYP2D6 1311/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 KMT2A 2046/4885HSD11B1 2049/4885CYP2D6 1607/4885

“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.