SCHEMBL3646162

SCHEMBL3646162

O=C(O)C1CCN(CCOc2cccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.50
▸ BTK Q06187 3/20 0.50
▸ LTA4H P09960 3/20 0.46
▸ ITK Q08881 3/20 0.42
▸ SYK P43405 2/20 0.41
▸ AIMP2 Q13155 1/20 0.41
▸ HTR7 P34969 4/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL3644492 0.91 LTA4H (0.49) EGFRLTA4HSYKDRD2
SCHEMBL3650235 0.90 LTA4H (0.49) EGFRBTKLTA4HSYKAIMP2
SCHEMBL3647130 0.88 EGFR (0.45) EGFRBTKLTA4HDRD2HTR1A
SCHEMBL13472142 0.88 LTA4H (0.46) EGFRBTKLTA4HITKSYK
SCHEMBL3652871 0.87 LTA4H (0.40) EGFRBTKLTA4HSYKDRD2
SCHEMBL3651441 0.86 EGFR (0.46) EGFRBTK
SCHEMBL3650240 0.86 EGFR (0.47) EGFRBTK
SCHEMBL12443126 0.83 EGFR (0.39) EGFRBTKLTA4HSYK
SCHEMBL3647442 0.83 LTA4H (0.42) EGFRBTKLTA4HSYKHTR7
SCHEMBL3652219 0.83 EGFR (0.39) EGFRBTKLTA4HSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP claimed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO claimed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
EP-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 — — US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 — — EP disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R EGFR 4777/4885BTK 1065/4885LTA4H 1804/4885

“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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