SCHEMBL4075226

SCHEMBL4075226

C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.51
▸ CYP1A2 P05177 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39

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
SCHEMBL8481259 0.81 AAK1 (0.56) AAK1CYP1A2SCN10AEGFRHRH4
SCHEMBL20054518 0.80 AAK1 (0.66) AAK1SCN10AKMT2A
SCHEMBL15116772 0.80 AAK1 (0.66) AAK1SCN10AKMT2A
SCHEMBL10206292 0.80 CYP1A2 (0.53) CYP1A2SCN10AALOX15ALDH1A1HPGD
SCHEMBL15116751 0.79 AAK1 (0.52) AAK1CYP1A2SCN10AKMT2A
SCHEMBL28586691 0.79 AAK1 (0.46) AAK1TRPA1ALOX15TP53
SCHEMBL4154097 0.79 AAK1 (0.46) AAK1TRPA1ALOX15TP53
SCHEMBL5649621 0.77 TRPA1 (0.42) AAK1TRPA1MEN1KMT2AKDM4E
SCHEMBL5649627 0.77 TRPA1 (0.42) AAK1TRPA1MEN1KMT2AKDM4E
SCHEMBL15116808 0.77 AAK1 (0.49) AAK1CYP1A2SCN10AKMT2A

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 2727/4885CYP1A2 677/4885SCN10A 3496/4885

“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.

Send feedback