SCHEMBL975655

SCHEMBL975655

CC(C)[C@H](COC(=O)C(F)(F)F)Nc1nc(N2CCC(c3nc(-c4ccncc4)no3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL975654 0.90 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL7712510 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL187438 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL15808557 0.83 ITGB3 (0.34) —
SCHEMBL12921313 0.81 TUBB4A (0.40) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL8054262 0.80 PPARA (0.42) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL17019865 0.79 SORD (0.32) KCNH2CYP2C9
SCHEMBL17019875 0.77 GPR6 (0.31) —
Trifluoroacetic Acid SCHEMBL974255 0.77 SCN9A (0.42) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL17180853 0.77 SMN1; SMN2 (0.46) SMN1; SMN2LMNATSHRGAAHTT

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 SMN1; SMN2 338/4885LMNA 4790/4885TSHR 1555/4885

“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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