SCHEMBL12872277

SCHEMBL12872277

[O-][S+]1CCc2nc(N3CCN(c4ccc(Cl)c(F)c4)CC3)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ HTR2C P28335 6/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ SCN9A Q15858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 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
SCHEMBL8038904 0.90 SCN9A (0.41) NTRK1NTRK3NTRK2HTR2CHTR2A
SCHEMBL8516432 0.88 HTR2C (0.38) NTRK1NTRK3NTRK2HTR2CHTR2A
SCHEMBL1186612 0.86 KDR (0.39) HTR2CHTR2AKDM4ECTSLCTSB
SCHEMBL8035437 0.86 ABL1 (0.37) HTR2CHTR2ASCN9AKDM4ECTSL
SCHEMBL1187750 0.86 L3MBTL1 (0.41) NTRK1NTRK3NTRK2HTR2CHTR2A
SCHEMBL194115 0.85 HTR2C (0.40) HTR2CHTR2ASCN9AKDM4ECTSL
SCHEMBL8040046 0.85 KDM4E (0.42) HTR2CHTR2ASCN9AKDM4ECTSL
SCHEMBL589575 0.84 CTSL (0.44) HTR2CHTR2ASCN9AKDM4ECTSL
SCHEMBL195200 0.83 SCN9A (0.37) NTRK1NTRK3NTRK2HTR2CHTR2A
SCHEMBL588838 0.83 MEN1 (0.42) HTR2CHTR2ASCN9AKDM4EMAPT

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-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

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 NTRK1 1455/4885NTRK3 1773/4885NTRK2 3212/4885

“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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