SCHEMBL672520

SCHEMBL672520

CN(C(=O)c1ccccc1C(F)(F)F)C1CCNC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.72
SLC6A2 P23975 19/20 0.72
SLC6A3 Q01959 9/20 0.70
CHRM4 P08173 1/20 0.64
CYP3A4 P08684 1/20 0.64
CHRM5 P08912 1/20 0.64
CYP2D6 P10635 1/20 0.64
KCNH2 Q12809 2/20 0.61

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
SCHEMBL672519 1.00 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL5887735 0.82 SLC6A2 (0.97) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL16798485 0.82 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL15380383 0.81 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL5888074 0.81 SLC6A2 (0.95) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL5887817 0.81 SLC6A2 (0.95) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL5888234 0.78 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4
SCHEMBL3065696 0.77 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL3065694 0.77 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5887958 0.77 SLC6A2 (0.98) SLC6A4SLC6A2SLC6A3CHRM4CYP3A4

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
CN-103119045-B Pyrrolopyrimidine compounds and uses thereof HUTCHISON MEDIPHARMA LTD. (CN) 2016-02-17 CN disclosed
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-15 US disclosed
CN-103119045-A Pyrrolopyrimidine compounds and uses thereof HUTCHISON MEDIPHARMA SHANGHAI CO LTD 2013-05-22 CN 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 SLC6A4 4500/4885SLC6A2 4796/4885SLC6A3 4625/4885
US-10111875-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 SLC6A4 4500/4885SLC6A2 4796/4885SLC6A3 4625/4885
US-10369153-B2 Pyrrolopyrimidine compounds and uses thereof JAK2, JAK1, JAK3 SLC6A4 4500/4885SLC6A2 4796/4885SLC6A3 4625/4885
US-20130210831-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 SLC6A4 4500/4885SLC6A2 4796/4885SLC6A3 4625/4885

“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.