SCHEMBL10074309

SCHEMBL10074309

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

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.85
AKT2 P31751 4/20 0.84
GSK3B P49841 2/20 0.84
KIT P10721 1/20 0.84
JAK3 P52333 8/20 0.73
LCK P06239 1/20 0.68
JAK2 O60674 7/20 0.62
HTR2C P28335 1/20 0.61
JAK1 P23458 2/20 0.58

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
SCHEMBL15178732 1.00 DOT1L (0.85) DOT1LAKT2GSK3BKITJAK3
Hydrochloric Acid SCHEMBL15170166 0.99 DOT1L (0.82) DOT1LAKT2GSK3BKITJAK3
Hydrochloric Acid SCHEMBL15169727 0.99 DOT1L (0.82) DOT1LAKT2GSK3BKITJAK3
SCHEMBL1531600 0.92 DOT1L (1.00) DOT1LAKT2GSK3BKITJAK3
SCHEMBL1531444 0.92 DOT1L (1.00) DOT1LAKT2GSK3BKITJAK3
SCHEMBL1531446 0.92 DOT1L (1.00) DOT1LAKT2GSK3BKITJAK3
SCHEMBL1003408 0.91 AKT2 (1.00) DOT1LAKT2GSK3BKITJAK3
SCHEMBL30673936 0.91 AKT2 (1.00) DOT1LAKT2GSK3BKITJAK3
Hydrochloric Acid SCHEMBL29036033 0.90 AKT2 (0.97) DOT1LAKT2GSK3BKITJAK3
SCHEMBL2019251 0.85 AKT2 (0.83) DOT1LAKT2GSK3BKITJAK3

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 10 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
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-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
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 (3 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 1330/4885AKT2 278/4885GSK3B 375/4885
US-10369153-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 DOT1L 1330/4885AKT2 278/4885GSK3B 375/4885
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 DOT1L 1330/4885AKT2 278/4885GSK3B 375/4885

“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.