SCHEMBL12921237

SCHEMBL12921237

CN1C[C@@H](Nc2nc(N3CCC(c4ccccc4)CC3)nc3c2[S+]([O-])CC3)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ SRD5A2 P31213 2/20 0.35
▸ BRD4 O60885 3/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IL1B P01584 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ EHMT2 Q96KQ7 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ DNMT3A Q9Y6K1 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ KAT2B Q92831 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
SCHEMBL8056114 0.92 PDE4D (0.36) SRD5A1PDE4DIL1BPIM1PIM2
SCHEMBL10283466 0.92 PDE4D (0.34) SRD5A1PDE4DSRD5A2HPGDTSHR
SCHEMBL186820 0.92 SRD5A1 (0.43) SRD5A1PDE4DSRD5A2TSHRIL1B
SCHEMBL12921240 0.91 PIM1 (0.35) SRD5A1PDE4DIL1BEHMT2PIM1
SCHEMBL8051881 0.91 PDE4D (0.33) SRD5A1PDE4DIL1B
SCHEMBL12921334 0.91 PDE4D (0.33) SRD5A1PDE4DIL1B
SCHEMBL8043176 0.90 PDE4D (0.35) SRD5A1PDE4DIL1BPIM1PIM2
SCHEMBL12921484 0.90 TSHR (0.35) SRD5A1PDE4DALDH1A1HPGDTSHR
SCHEMBL12921481 0.89 SCN9A (0.34) SRD5A1PDE4DIL1BPIM1PIM2
SCHEMBL12921238 0.89 PDE4D (0.33) SRD5A1PDE4DIL1B

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-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 SRD5A1 586/4885PDE4D 2859/4885SRD5A2 899/4885

“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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