SCHEMBL20183409

SCHEMBL20183409

c1ccc(CN2CC[C@@H](Nc3ncnc4[nH]ccc34)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.60
GRIN2B Q13224 8/20 0.57
JAK2 O60674 7/20 0.57
JAK3 P52333 7/20 0.57
TYK2 P29597 5/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2D6 P10635 4/20 0.56
HPGDS O60760 1/20 0.55
KCNH2 Q12809 2/20 0.55
NSD2 O96028 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL20183411 1.00 JAK1 (0.60) JAK1GRIN2BJAK2JAK3TYK2
SCHEMBL661442 0.82 ROCK2 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL12346535 0.82 ROCK2 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL23619474 0.82 JAK3 (0.56) JAK1JAK2JAK3TYK2HPGDS
SCHEMBL3537589 0.80 CYP1A2 (0.63) JAK1JAK2JAK3TYK2CYP2D6
SCHEMBL1120768 0.79 JAK2 (0.62) JAK1JAK2JAK3TYK2CYP2D6
SCHEMBL1376865 0.79 JAK2 (0.62) JAK1JAK2JAK3TYK2CYP2D6
SCHEMBL20708022 0.78 GRIN2B (0.84) GRIN2BCYP2D6KCNH2
SCHEMBL23339201 0.78 HPGDS (0.65) JAK1GRIN2BJAK3CYP2D6HPGDS
SCHEMBL4315728 0.77 HTT (0.64) GRIN2BHTTSMN1; SMN2CYP2D6HPGDS

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 JAK1 1/4885GRIN2B 1171/4885JAK2 2/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK1 1/4885GRIN2B 1129/4885JAK2 2/4885

“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.