SCHEMBL4152368

SCHEMBL4152368

CCC(N)c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1SCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 7/20 0.40
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ CHIA Q9BZP6 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE6C P51160 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33

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
SCHEMBL3027030 0.89 MAPT (0.39) GAAALDH1A1KMT2ATSHRMAPT
SCHEMBL3026830 0.89 PDE11A (0.43) GAAALDH1A1KMT2ATSHRMAPT
SCHEMBL2922890 0.79 ALDH1A1 (0.48) CETPGAAALDH1A1GFERKMT2A
SCHEMBL588859 0.79 ALDH1A1 (0.44) CETPGAAALDH1A1GFERKMT2A
SCHEMBL588576 0.77 KMT2A (0.43) CETPGAAALDH1A1GFERKMT2A
Trifluoroacetic Acid SCHEMBL588532 0.77 KMT2A (0.36) CETPGAAALDH1A1GFERKMT2A
SCHEMBL3948726 0.77 CETP (0.45) CETPGAAALDH1A1GFERKMT2A
SCHEMBL29092505 0.76 ALDH1A1 (0.41) CETPGAAALDH1A1GFERKMT2A
SCHEMBL3948728 0.76 CETP (0.42) CETPGAAALDH1A1GFERKMT2A
SCHEMBL4071055 0.75 CETP (0.36) CETPGAAALDH1A1GFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — 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 (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-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 CETP 3159/4885GAA 3082/4885ALDH1A1 58/4885

“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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