SCHEMBL8060077

SCHEMBL8060077

CC(C)[C@H](CO)Nc1nc(N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 7/20 0.37
▸ TNKS2 Q9H2K2 2/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ GPR4 P46093 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ PARP1 P09874 3/20 0.34
▸ PARP2 Q9UGN5 3/20 0.34
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL12921311 0.93 MAPT (0.38) TNKSTNKS2GPR4MAPTPARP1
SCHEMBL8045024 0.84 TNKS (0.38) TNKSTNKS2GRM5MAPTPARP1
SCHEMBL8052339 0.81 TNKS (0.39) TNKSTNKS2GRM5MAPTPARP1
SCHEMBL12921578 0.81 GPR6 (0.35) —
SCHEMBL12208836 0.80 GRM5 (0.35) TNKSTNKS2GRM5MAPTPARP1
SCHEMBL12921221 0.79 KDM4E (0.36) MAPTSMN1; SMN2GAALMNATSHR
SCHEMBL12921313 0.79 TUBB4A (0.40) HTTSMN1; SMN2GAALMNATSHR
SCHEMBL10266952 0.79 CCR5 (0.32) —
SCHEMBL12209671 0.79 TNKS (0.36) TNKSTNKS2GRM5MAPTPARP1
SCHEMBL12209274 0.79 DRD2 (0.43) —

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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