SCHEMBL671998

SCHEMBL671998

COc1nc(N(C)C2CCN(C(=O)OC(C)(C)C)C2)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
JAK3 P52333 1/20 0.51
GPR119 Q8TDV5 12/20 0.45
PIK3CD O00329 1/20 0.45
USP30 Q70CQ3 3/20 0.45
PRMT5 O14744 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
NSD2 O96028 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
SCHEMBL15170303 1.00 JAK2 (0.51) JAK2JAK1JAK3GPR119PIK3CD
SCHEMBL671286 0.87 JAK2 (0.49) JAK2GPR119USP30PRMT5
SCHEMBL671285 0.87 JAK2 (0.49) JAK2GPR119USP30PRMT5
SCHEMBL10075570 0.80 GPR119 (0.51) JAK2JAK3GPR119USP30PRMT5
SCHEMBL23537864 0.79 USP30 (0.43) JAK3GPR119USP30PRMT5
SCHEMBL23537863 0.79 USP30 (0.43) JAK3GPR119USP30PRMT5
SCHEMBL28834338 0.77 USP30 (0.53) JAK2JAK1GPR119USP30PRMT5
SCHEMBL28834341 0.77 USP30 (0.53) JAK2JAK1GPR119USP30PRMT5
SCHEMBL18107103 0.76 PIK3CD (0.49) GPR119PIK3CDUSP30IKBKETBK1
SCHEMBL23537598 0.75 USP30 (0.47) JAK2JAK1GPR119USP30PRMT5

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-10369153-B2 Pyrrolopyrimidine compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2019-08-06 US disclosed
US-10111875-B2 Pyrrolopyrimidine compounds and uses thereof HUTCHINSON MEDIPHARMA LIMITED (CN) 2018-10-30 US disclosed
EP-2606051-B1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LTD (CN) 2016-10-05 EP disclosed
US-20160228443-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED 2016-08-11 US disclosed
US-9346810-B2 Pyrrolopyrimidine compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2016-05-24 US disclosed
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-15 US disclosed
EP-2606051-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2013-06-26 EP disclosed
WO-2012022045-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 WO disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 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 (4 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-20160228443-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-10111875-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-10369153-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES 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.