SCHEMBL21044783

SCHEMBL21044783

CC(C)(CC(=O)NCC(F)(F)F)n1cc(-c2cc[nH]c3nccc2-3)cn1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.65
JAK1 P23458 9/20 0.47
JAK3 P52333 1/20 0.39
KDR P35968 2/20 0.36
PDK2 Q15119 3/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL21320196 0.87 JAK2 (0.75) JAK2JAK1JAK3AURKAAURKB
SCHEMBL19832260 0.79 JAK2 (1.00) JAK2JAK1JAK3
SCHEMBL19832101 0.78 JAK2 (1.00) JAK2JAK1JAK3
SCHEMBL21044796 0.76 JAK1 (0.79) JAK2JAK1JAK3
SCHEMBL21044787 0.74 JAK1 (0.80) JAK2JAK1JAK3
SCHEMBL28107488 0.71 AURKB (0.57) JAK2JAK1JAK3KDRAURKA
SCHEMBL101177 0.71 AURKB (0.60) JAK2JAK1JAK3KDRAURKA
SCHEMBL29540487 0.71 AURKB (0.60) JAK2JAK1JAK3KDRAURKA
Trifluoroacetic Acid SCHEMBL4094031 0.70 JAK2 (0.54) JAK2JAK1JAK3KDRAURKA
SCHEMBL4094038 0.68 JAK2 (0.51) JAK2JAK1JAK3AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190270740-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF TIANJIN LONGBOGENE PHARMACEUTICAL CO., LTD. (CN) 2019-09-05 US claimed
EP-3492468-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP claimed
CN-109790158-A As JAK inhibitor heterocyclic compound, the salt and its therapeutical uses of the compound 天津隆博基因药物科技有限公司 2019-05-21 CN claimed
US-11414413-B2 Heterocyclic compound as JAK inhibitor, and salts and therapeutic use thereof SUZHOU LONGBIOTECH PHARMACEUTICALS CO., LTD. (CN) 2022-08-16 US disclosed
CN-109790158-B Heterocyclic compounds as JAK inhibitors, salts of the compounds and therapeutic use thereof 苏州隆博泰药业有限公司 2022-06-24 CN disclosed
EP-3492468-B1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF SUZHOU LONGBIOTECH PHARMACEUTICALS CO LTD (CN) 2022-02-23 EP disclosed
US-20190270740-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF TIANJIN LONGBOGENE PHARMACEUTICAL CO., LTD. (CN) 2019-09-05 US disclosed
EP-3492468-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP disclosed
CN-109790158-A As JAK inhibitor heterocyclic compound, the salt and its therapeutical uses of the compound 天津隆博基因药物科技有限公司 2019-05-21 CN 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-20190270740-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-11414413-B2 Heterocyclic compound as JAK inhibitor, and salts and therapeutic use thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.