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SCHEMBL4558328

SCHEMBL4558328

CC(C)(C)OC(=O)NCCn1c(C2CC2)c(N)c2nc[nH]c(=O)c21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ DRD2 P14416 2/20 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
SCHEMBL4464584 0.90 JAK2 (0.44) JAK2JAK1CCNT1CDK9L3MBTL1
SCHEMBL13783365 0.89 JAK2 (0.44) JAK2JAK1CCNT1CDK9L3MBTL1
SCHEMBL13783366 0.89 JAK2 (0.44) JAK2JAK1CCNT1CDK9L3MBTL1
SCHEMBL13783644 0.86 JAK2 (0.42) JAK2JAK1CCNT1CDK9L3MBTL1
SCHEMBL4558848 0.77 L3MBTL1 (0.37) JAK2JAK1L3MBTL1TDP1NPSR1
SCHEMBL13843278 0.71 BCHE (0.38) JAK2JAK1TDP1NPSR1POLB
SCHEMBL13783368 0.71 L3MBTL1 (0.38) JAK2JAK1L3MBTL1TDP1NPSR1
SCHEMBL3934627 0.71 SCN9A (0.37) JAK2JAK1L3MBTL1TDP1ALDH1A1
SCHEMBL4558219 0.71 L3MBTL1 (0.37) JAK2JAK1L3MBTL1TDP1NPSR1
SCHEMBL13843312 0.70 RET (0.38) JAK2JAK1L3MBTL1TDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 — — EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 — — US disclosed
EP-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 — — EP disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 — — EP disclosed
US-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 — — 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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP JAK2 705/4885JAK1 1117/4885CCNT1 60/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP JAK2 783/4885JAK1 1450/4885CCNT1 75/4885

“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.