SCHEMBL12921291

SCHEMBL12921291

Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(NC6(CO)CC6)n4)[S+]([O-])CC5)CC3)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ TP53 P04637 4/20 0.39
▸ TNKS O95271 4/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ TNKS2 Q9H2K2 3/20 0.32
▸ GPR4 P46093 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL8045024 0.92 TNKS (0.38) MAPTTP53TNKSPARP1PARP2
SCHEMBL8054876 0.92 TNKS (0.36) MAPTTNKSPARP1PARP2TNKS2
SCHEMBL12921371 0.88 — —
SCHEMBL12921205 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12921311 0.84 MAPT (0.38) MAPTTP53TNKSPARP1PARP2
SCHEMBL12209671 0.83 TNKS (0.36) MAPTTP53TNKSPARP1PARP2
SCHEMBL12921298 0.82 MAPT (0.39) MAPTTP53TNKSPARP1PARP2
SCHEMBL187943 0.82 — —
SCHEMBL187000 0.82 KDM4E (0.32) ALDH1A1
SCHEMBL12921231 0.82 — —

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 MAPT 3547/4885TP53 255/4885TNKS 1654/4885

“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.

Send feedback