SCHEMBL17858830

SCHEMBL17858830

N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(C#N)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.68
JAK1 P23458 13/20 0.68
JAK3 P52333 4/20 0.68
DAPK3 O43293 2/20 0.68
PAK4 O96013 2/20 0.68
ABL1 P00519 2/20 0.68
RET P07949 2/20 0.68
LTK P29376 2/20 0.68
CSNK1A1 P48729 2/20 0.68
CLK2 P49760 2/20 0.68
TNK2 Q07912 2/20 0.68
ROCK1 Q13464 2/20 0.68
DYRK1A Q13627 2/20 0.68
IKBKE Q14164 2/20 0.68
NTRK3 Q16288 2/20 0.68
NTRK2 Q16620 2/20 0.68
LRRK2 Q5S007 2/20 0.68
TAOK1 Q7L7X3 2/20 0.68
CAMK1D Q8IU85 2/20 0.68
CLK4 Q9HAZ1 2/20 0.68

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
SCHEMBL21159072 0.90 JAK2 (0.67) JAK2JAK1JAK3DAPK3PAK4
Rovadicitinib SCHEMBL17858699 0.90 JAK2 (0.69) JAK2JAK1JAK3DAPK3PAK4
Rovadicitinib SCHEMBL17858806 0.90 JAK2 (0.69) JAK2JAK1JAK3DAPK3PAK4
Rovadicitinib SCHEMBL17858797 0.90 JAK2 (0.69) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL31734169 0.89 JAK2 (0.68) JAK2JAK1JAK3DAPK3PAK4
Rovadicitinib SCHEMBL19466579 0.89 JAK2 (0.68) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL31734171 0.89 JAK2 (0.68) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1612548 0.89 JAK2 (0.68) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL17858725 0.89 JAK2 (0.68) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL31734179 0.89 JAK2 (0.68) JAK2JAK1JAK3DAPK3PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018861-B Pyrrolopyrimidine compounds 正大天晴药业集团股份有限公司 2021-11-19 CN disclosed
EP-3235819-B1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL AS JAK INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2020-11-18 EP disclosed
EP-3235819-B1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL AS JAK INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2020-11-18 EP disclosed
CN-111018861-A Pyrrolopyrimidine compounds 正大天晴药业集团股份有限公司 2020-04-17 CN disclosed
US-10561657-B2 Pyrrolopyrimidine compound Centaurus Biophrama Co., Ltd. (CN) 2020-02-18 US disclosed
US-10561657-B2 Pyrrolopyrimidine compound Centaurus Biophrama Co., Ltd. (CN) 2020-02-18 US disclosed
US-20190201403-A1 PYRROLOPYRIMIDINE COMPOUND LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2019-07-04 US disclosed
US-20190201403-A1 PYRROLOPYRIMIDINE COMPOUND LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2019-07-04 US disclosed
EP-3235819-A1 PYRROLOPYRIMIDINE COMPOUND Centaurus BioPharma Co., Ltd. (CN) 2017-10-25 EP disclosed
EP-3235819-A1 PYRROLOPYRIMIDINE COMPOUND Centaurus BioPharma Co., Ltd. (CN) 2017-10-25 EP disclosed
WO-2016095805-A1 PYRROLOPYRIMIDINE COMPOUND 北京赛林泰医药技术有限公司 2016-06-23 WO 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-10561657-B2 Pyrrolopyrimidine compound JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-20190201403-A1 PYRROLOPYRIMIDINE COMPOUND 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.