SCHEMBL10206058

SCHEMBL10206058

C[C@@H]1CCN(C(=O)c2cccn2C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ PDE4B Q07343 1/20 0.50
▸ HSD11B1 P28845 1/20 0.48
▸ CYP3A4 P08684 5/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HPGDS O60760 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45

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
SCHEMBL13211805 0.91 RECQL (0.56) KMT2APDE4BHSD11B1CYP3A4CYP1A2
SCHEMBL15070460 0.91 ACHE (0.57) KMT2ACYP3A4CYP1A2USP2TSHR
SCHEMBL19239927 0.78 CYP2D6 (0.54) KMT2ACYP3A4CYP1A2USP2TSHR
SCHEMBL5655224 0.76 ALDH1A1 (0.69) KMT2ACYP3A4CYP1A2USP2TSHR
SCHEMBL3763788 0.76 MAOB (0.64) KMT2ACYP3A4CYP1A2USP2TSHR
SCHEMBL5655889 0.76 KMT2A (0.63) KMT2ACYP3A4CYP1A2USP2TSHR
SCHEMBL22622324 0.75 RECQL (0.66) KMT2ATSHRTP53HPGDACHE
SCHEMBL14590544 0.74 KMT2A (0.57) KMT2ACYP3A4CYP1A2USP2TSHR
SCHEMBL433828 0.74 ACHE (0.81) KMT2AMEN1HPGDACHESMN1; SMN2
SCHEMBL25946040 0.74 ACHE (0.81) KMT2AMEN1HPGDACHESMN1; SMN2

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-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
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO 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-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 KMT2A 3750/4885PDE4B 2/4885HSD11B1 275/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR KMT2A 2853/4885PDE4B 1680/4885HSD11B1 2626/4885

“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.

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