SCHEMBL9897556

SCHEMBL9897556

CCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCC(N)CC4)c(C)[nH]c23)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.44
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PBK Q96KB5 1/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
F2 P00734 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RIPK2 O43353 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL9897554 1.00 SMYD3 (0.44) SMYD3TLR9TLR7PBKPRSS1
Hydrochloric Acid SCHEMBL9897355 0.99 SMYD3 (0.44) SMYD3TLR9TLR7PBKPRSS1
Hydrochloric Acid SCHEMBL9896584 0.99 SMYD3 (0.44) SMYD3TLR9TLR7PBKPRSS1
Hydrochloric Acid SCHEMBL9896581 0.99 SMYD3 (0.44) SMYD3TLR9TLR7PBKPRSS1
Hydrochloric Acid SCHEMBL27878606 0.94 SMYD3 (0.39) SMYD3TLR9TLR7PBKPRSS1
Hydrochloric Acid SCHEMBL28024311 0.94 SMYD3 (0.39) SMYD3TLR9TLR7PBKPRSS1
SCHEMBL1441879 0.94 SMYD3 (0.36) SMYD3GAAHPGDTSHRRIPK2
SCHEMBL9897041 0.94 SMYD3 (0.36) SMYD3GAAHPGDTSHRRIPK2
SCHEMBL1441884 0.94 SMYD3 (0.36) SMYD3GAAHPGDTSHRRIPK2
SCHEMBL9896648 0.93 CYP4F2 (0.36) SMYD3GAAHPGDTSHRRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A SMYD3 373/4885TLR9 4238/4885TLR7 4633/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A SMYD3 266/4885TLR9 2486/4885TLR7 4117/4885

“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.