SCHEMBL10074310

SCHEMBL10074310

CN[C@@H]1CCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.86
JAK3 P52333 9/20 0.72
LCK P06239 1/20 0.67
AKT2 P31751 2/20 0.65
GSK3B P49841 2/20 0.65
KIT P10721 1/20 0.65
JAK2 O60674 9/20 0.62
JAK1 P23458 2/20 0.60
HTR2C P28335 1/20 0.57

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
SCHEMBL15170325 1.00 DOT1L (0.86) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL9966955 0.92 LCK (0.75) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL3586517 0.84 JAK3 (0.65) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL10075565 0.84 JAK3 (0.65) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL3951434 0.84 JAK3 (0.65) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL15169950 0.84 JAK3 (0.65) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL2021330 0.84 JAK3 (1.00) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL10079358 0.84 JAK3 (1.00) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL2019902 0.83 JAK3 (0.62) DOT1LJAK3LCKAKT2GSK3B
SCHEMBL15178732 0.82 DOT1L (0.85) DOT1LJAK3LCKAKT2GSK3B

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 16 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-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
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-20160228443-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED 2016-08-11 US 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-9346810-B2 Pyrrolopyrimidine compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2016-05-24 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
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-15 US disclosed
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-15 US disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 WO disclosed
WO-2012022045-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 DOT1L 1330/4885JAK3 3/4885LCK 7/4885
US-10111875-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 DOT1L 1330/4885JAK3 3/4885LCK 7/4885
US-10369153-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 DOT1L 1330/4885JAK3 3/4885LCK 7/4885
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 DOT1L 1330/4885JAK3 3/4885LCK 7/4885

“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.