SCHEMBL2406263

SCHEMBL2406263

Nc1ccc(F)cc1O[C@@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
PDE4D Q08499 12/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
EIF4E P06730 1/20 0.39
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
GRM4 Q14833 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL2406266 1.00 NTRK1 (0.42) NTRK1PDE4DMKNK1MKNK2EIF4E
SCHEMBL2409363 1.00 NTRK1 (0.42) NTRK1PDE4DMKNK1MKNK2EIF4E
SCHEMBL2406550 0.91 EIF4E (0.47) NTRK1PDE4DMKNK1MKNK2EIF4E
SCHEMBL2406543 0.91 EIF4E (0.47) NTRK1PDE4DMKNK1MKNK2EIF4E
SCHEMBL2409169 0.91 EIF4E (0.47) NTRK1PDE4DMKNK1MKNK2EIF4E
SCHEMBL1937164 0.91 SYK (0.44) NTRK1PDE4DMKNK1MKNK2PDE4A
SCHEMBL31122720 0.88 PDE4D (0.43) NTRK1PDE4DPDE4APDE4BPDE4C
SCHEMBL20472398 0.84 NTRK1 (0.40) NTRK1PDE4DMKNK1MKNK2EIF4E
Hydrochloric Acid SCHEMBL29786551 0.83 NTRK1 (0.39) NTRK1PDE4DMKNK1MKNK2EIF4E
SCHEMBL24997173 0.82 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140300-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INT GMBH (DE) 2019-08-14 EP disclosed
US-10167296-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions EVOTEC INTERNATIONAL GMBH (DE) 2019-01-01 US disclosed
US-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2017-09-14 US disclosed
US-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2017-09-14 US disclosed
WO-2015169677-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 WO disclosed
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
EP-2539346-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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 (3 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-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, PDXK, NEK2 NTRK1 1228/4885PDE4D 3336/4885MKNK1 42/4885
US-10167296-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions NEK5, PDXK, NEK2 NTRK1 1260/4885PDE4D 3344/4885MKNK1 38/4885
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 NTRK1 873/4885PDE4D 1744/4885MKNK1 50/4885

“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.