SCHEMBL8040046

SCHEMBL8040046

Cc1cc(C)cc(N2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)[S+]([O-])CC4)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ HTR2C P28335 8/20 0.40
▸ HTR2A P28223 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SRC P12931 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1187750 0.94 L3MBTL1 (0.41) KDM4EHTR2CHTR2AL3MBTL1HTT
SCHEMBL8038904 0.91 SCN9A (0.41) KDM4EHTR2CHTR2AL3MBTL1CTSL
SCHEMBL8516432 0.90 HTR2C (0.38) KDM4EHTR2CHTR2AL3MBTL1CTSL
SCHEMBL194115 0.89 HTR2C (0.40) KDM4EHTR2CHTR2ACTSLCTSB
SCHEMBL12887232 0.87 KDM4E (0.41) KDM4EHTR2CHTR2AL3MBTL1CTSL
SCHEMBL588906 0.87 HTR2C (0.41) KDM4EHTR2CHTR2AHTTSCN9A
SCHEMBL195424 0.86 HTR2C (0.39) KDM4EHTR2CHTR2AL3MBTL1CTSL
SCHEMBL589575 0.85 CTSL (0.44) KDM4EHTR2CHTR2ACTSLCTSB
SCHEMBL12872277 0.85 NTRK1 (0.38) KDM4EHTR2CHTR2ACTSLCTSB
SCHEMBL590854 0.85 IDH2 (0.43) KDM4EHTR2CHTR2ASRCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009053268-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — 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-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 KDM4E 3174/4885HTR2C 2692/4885HTR2A 3700/4885

“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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