SCHEMBL3948726

SCHEMBL3948726

CCCNc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1SCC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 9/20 0.45
▸ HRH4 Q9H3N8 5/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL2920928 0.89 ESR1 (0.36) CETPKMT2AMEN1LMNAGAA
SCHEMBL2922786 0.89 HTT (0.36) CETPHRH4HTR3AKMT2AMEN1
SCHEMBL2911656 0.89 MEN1 (0.34) CETPHRH4KMT2AMEN1LMNA
SCHEMBL2916952 0.89 PDE11A (0.42) HRH4KMT2AMEN1LMNAGAA
SCHEMBL3027474 0.87 CHRNA10 (0.37) CETPHRH4KMT2AMEN1LMNA
SCHEMBL3022088 0.85 MAPT (0.41) HRH4KMT2AMEN1LMNAALDH1A1
SCHEMBL2921386 0.80 MAPT (0.47) KMT2AMEN1ALDH1A1TSHR
SCHEMBL2913055 0.80 KHK (0.43) CETPKMT2AMEN1LMNAKDM4E
SCHEMBL588859 0.79 ALDH1A1 (0.44) CETPHTR3AKMT2ALMNAGAA
SCHEMBL4071055 0.79 CETP (0.36) CETPHRH4HTR3AKMT2ALMNA

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 3159/4885HRH4 88/4885HTR3A 2018/4885

“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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