SCHEMBL4069263

SCHEMBL4069263

COC[C@H](C)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRS3 P32247 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
BACE1 P56817 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ACHE P22303 1/20 0.46
AMY1A P0DUB6 5/20 0.44
AAK1 Q2M2I8 1/20 0.44
ALOX15 P16050 1/20 0.43
EGFR P00533 1/20 0.43
PSMB8 P28062 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL10206288 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL12852536 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL589667 0.84 CYP1A2 (0.49) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL11740622 0.80 ALDH1A1 (0.61) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL10749817 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL580877 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL5100681 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL4067157 0.75 CYP1A2 (0.57) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL5100698 0.74 CYP1A2 (0.50) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1
SCHEMBL16198451 0.74 CYP1A2 (0.59) ALDH1A1CYP1A2HPGDSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 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
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
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 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 (3 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 ALDH1A1 396/4885CYP1A2 285/4885HPGD 601/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT ALDH1A1 302/4885CYP1A2 677/4885HPGD 254/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR ALDH1A1 382/4885CYP1A2 806/4885HPGD 484/4885

“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.