SCHEMBL8045024

SCHEMBL8045024

[O-][S+]1CCc2nc(N3CCC(c4nnc(-c5ccc(F)cc5)o4)CC3)nc(NC3(CO)CC3)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 7/20 0.38
▸ TNKS2 Q9H2K2 2/20 0.38
▸ GRM5 P41594 1/20 0.35
▸ PARP1 P09874 3/20 0.34
▸ PARP2 Q9UGN5 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIK3R1 P27986 6/20 0.31
▸ PIK3CA P42336 6/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL12921291 0.92 MAPT (0.39) TNKSTNKS2PARP1PARP2MAPT
SCHEMBL8054876 0.92 TNKS (0.36) TNKSTNKS2PARP1PARP2MAPT
SCHEMBL12209671 0.90 TNKS (0.36) TNKSTNKS2GRM5PARP1PARP2
SCHEMBL8058980 0.85 HTR2A (0.32) PIK3R1PIK3CAHTR2AHTR2C
SCHEMBL8060077 0.84 TNKS (0.37) TNKSTNKS2GRM5PARP1PARP2
SCHEMBL8052339 0.82 TNKS (0.39) TNKSTNKS2GRM5PARP1PARP2
SCHEMBL15088493 0.82 — —
SCHEMBL187371 0.81 CNR2 (0.34) PIK3R1PIK3CA
SCHEMBL12208836 0.81 GRM5 (0.35) TNKSTNKS2GRM5PARP1PARP2
SCHEMBL12921371 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — WO 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 TNKS 1654/4885TNKS2 2514/4885GRM5 1441/4885

“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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