SCHEMBL3046737

SCHEMBL3046737

CC(C)[C@H](CO)Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S@+]([O-])CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ CETP P11597 7/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ TRPV3 Q8NET8 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ESR1 P03372 1/20 0.32

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
SCHEMBL3046733 1.00 HTR3A (0.36) HTR3AHRH4CETPCDK1EGFR
SCHEMBL588851 0.91 CDK1 (0.34) HTR3AHRH4CDK1EGFRTRPV3
SCHEMBL2672027 0.91 HTR3A (0.36) HTR3AHRH4CETPSMN1; SMN2ALDH1A1
SCHEMBL12872285 0.91 HTR3A (0.34) HTR3AHRH4CDK1TRPV3ALDH1A1
SCHEMBL9275439 0.91 HTR3A (0.34) HTR3AHRH4CDK1TRPV3ALDH1A1
SCHEMBL7715595 0.90 CCNA2 (0.33) EGFRCDK2TRPV3SMN1; SMN2ALDH1A1
SCHEMBL194327 0.90 CCNA2 (0.33) EGFRCDK2TRPV3SMN1; SMN2ALDH1A1
SCHEMBL16503379 0.89 HSD11B1 (0.35) CDK1CCNE1CDK2TRPV3
SCHEMBL1202336 0.89 HSD11B1 (0.35) CDK1CCNE1CDK2TRPV3
SCHEMBL8046502 0.89 HSD11B1 (0.35) CDK1CCNE1CDK2TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — US claimed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 — — US disclosed
EP-2205608-B1 PREPARATION OF DIHYDROTHIENO[3, 2-D]PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INT (DE) 2013-05-08 — — EP 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

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-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR HTR3A 2952/4885HRH4 291/4885CETP 4532/4885

“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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