SCHEMBL588747

SCHEMBL588747

CC(C)C(Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1SCC2)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL588746 1.00 CCR1 (0.39) CCR1FPR2SCN9ASMN1; SMN2MAPT
SCHEMBL4071055 0.83 CETP (0.36) SMN1; SMN2MAPTTSHRKMT2ACYP2C9
Trifluoroacetic Acid SCHEMBL2672412 0.81 GPR6 (0.36) CCR1FPR2SCN9ASMN1; SMN2MAPT
SCHEMBL589618 0.78 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL589616 0.78 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL3948726 0.75 CETP (0.45) TSHRKMT2ALMNAALDH1A1GAA
Trifluoroacetic Acid SCHEMBL588532 0.75 KMT2A (0.36) CCR1SMN1; SMN2MAPTTSHRKMT2A
SCHEMBL588576 0.74 KMT2A (0.43) SMN1; SMN2MAPTTSHRKMT2ACYP2C9
SCHEMBL9921635 0.74 SYK (0.32) KMT2AALDH1A1
SCHEMBL2922890 0.74 ALDH1A1 (0.48) SMN1; SMN2MAPTTSHRKMT2ACYP2C9

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-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-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 — — US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 — — 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-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 CCR1 377/4885FPR2 2018/4885SCN9A 3021/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT CCR1 39/4885FPR2 97/4885SCN9A 3714/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT CCR1 47/4885FPR2 117/4885SCN9A 3217/4885

“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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