SCHEMBL20183454

SCHEMBL20183454

c1nc(OCC2CCCNC2)c2cc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.52
MAP2K1 Q02750 1/20 0.48
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPB Q9Y5S2 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.44
JAK2 O60674 3/20 0.43
JAK1 P23458 1/20 0.43
TRPA1 O75762 2/20 0.43
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
CDK5 Q00535 1/20 0.42
HPGDS O60760 1/20 0.42
HTR2C P28335 1/20 0.42
AKT2 P31751 1/20 0.41

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
SCHEMBL12561813 0.84 JAK3 (0.58) JAK3JAK2JAK1TRPA1CCNT1
SCHEMBL17545945 0.80 JAK3 (0.73) JAK3ROCK2ROCK1CDC42BPBIRAK4
SCHEMBL28345670 0.72 JAK3 (0.59) JAK3JAK2JAK1HPGDSHTR2C
SCHEMBL20183403 0.72 BTK (0.49) JAK3JAK2JAK1
SCHEMBL7850879 0.71 DOT1L (0.60) JAK3JAK2HTR2CAKT2GSK3B
SCHEMBL20183342 0.70 JAK3 (0.76) JAK3JAK2JAK1TRPA1HPGDS
SCHEMBL14334552 0.70 IRAK4 (0.46) MAP2K1ROCK2ROCK1CDC42BPBIRAK4
SCHEMBL18419023 0.70 HPGDS (0.74) JAK3IRAK4JAK2JAK1HPGDS
SCHEMBL16765136 0.70 HPGDS (0.74) JAK3IRAK4JAK2JAK1HPGDS
SCHEMBL16765135 0.70 HPGDS (0.74) JAK3IRAK4JAK2JAK1HPGDS

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
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

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 JAK3 3/4885MAP2K1 518/4885ROCK2 184/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK3 3/4885MAP2K1 229/4885ROCK2 345/4885

“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.