SCHEMBL8035437

SCHEMBL8035437

[O-][S+]1CCc2nc(N3CCN(c4ccc(Cl)cc4F)CC3)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTR2A P28223 5/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ HRH4 Q9H3N8 4/20 0.34
▸ HTR3A P46098 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ KDR P35968 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
SCHEMBL9270307 0.92 KDM4E (0.39) ABL1BTKKDM4EHTR2ACTSL
SCHEMBL1186612 0.90 KDR (0.39) ABL1BTKKDM4EHTR2ACTSL
SCHEMBL8516432 0.88 HTR2C (0.38) KDM4EHTR2ACTSLCTSBCTSS
SCHEMBL8038904 0.86 SCN9A (0.41) KDM4EHTR2ACTSLCTSBCTSS
SCHEMBL12872277 0.86 NTRK1 (0.38) KDM4EHTR2ACTSLCTSBCTSS
SCHEMBL12887232 0.85 KDM4E (0.41) ABL1BTKKDM4EHTR2ACTSL
SCHEMBL194455 0.85 HTR2A (0.35) ABL1BTKKDM4EHTR2ACTSL
SCHEMBL8057050 0.85 SCN9A (0.41) KDM4EHTR2ACTSLCTSBCTSS
SCHEMBL8063155 0.84 KDM4E (0.35) ABL1KDM4ECTSLCTSBCTSS
SCHEMBL515764 0.84 KDM4E (0.36) KDM4EHTR2ACTSLCTSBCTSS

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 ABL1 1410/4885BTK 338/4885KDM4E 3174/4885

“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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