SCHEMBL4080656

SCHEMBL4080656

COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.55
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
CTSS P25774 6/20 0.47
HDAC4 P56524 3/20 0.45
MEF2D Q14814 2/20 0.45
EP300 Q09472 1/20 0.45
CTSK P43235 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
HDAC1 Q13547 2/20 0.44
PPARA Q07869 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL7416488 0.88 AAK1 (0.53) AAK1MAPTTP53CTSSHDAC4
SCHEMBL7416493 0.88 AAK1 (0.53) AAK1MAPTTP53CTSSHDAC4
SCHEMBL26304207 0.87 AAK1 (0.54) AAK1MAPTTP53CTSSCTSK
SCHEMBL24485486 0.87 CTSS (0.66) AAK1CTSSCTSKCTSLCTSB
SCHEMBL5354495 0.87 CTSS (0.66) AAK1CTSSCTSKCTSLCTSB
SCHEMBL20181226 0.85 AAK1 (0.55) AAK1MAPTTP53CTSSHDAC4
SCHEMBL1479155 0.84 AAK1 (0.60) AAK1MAPTTP53CTSSHDAC4
SCHEMBL1480123 0.84 AAK1 (0.57) AAK1MAPTTP53CTSSCTSL
SCHEMBL1479930 0.84 AAK1 (0.78) AAK1MAPTCTSSCTSKCTSB
SCHEMBL2330555 0.84 AAK1 (0.74) AAK1MAPTCTSSCTSKCTSB

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-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP 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 (1 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT AAK1 2727/4885MAPT 2212/4885TP53 310/4885

“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.