SCHEMBL8038904

SCHEMBL8038904

[O-][S+]1CCc2nc(N3CCN(c4cccc(F)c4)CC3)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.41
▸ HTR2C P28335 9/20 0.40
▸ HTR2A P28223 6/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ NTRK1 P04629 2/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ C1S P09871 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ L3MBTL1 Q9Y468 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 0.93 L3MBTL1 (0.41) SCN9AHTR2CHTR2AKDM4ENTRK1
SCHEMBL194115 0.91 HTR2C (0.40) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL8040046 0.91 KDM4E (0.42) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL8516432 0.91 HTR2C (0.38) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL12872277 0.90 NTRK1 (0.38) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL195200 0.89 SCN9A (0.37) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL195424 0.89 HTR2C (0.39) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL589575 0.88 CTSL (0.44) SCN9AHTR2CHTR2AKDM4ECTSL
SCHEMBL590854 0.88 IDH2 (0.43) HTR2CHTR2AKDM4E
SCHEMBL588838 0.87 MEN1 (0.42) SCN9AHTR2CHTR2AKDM4E

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 SCN9A 3497/4885HTR2C 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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