SCHEMBL5341815

SCHEMBL5341815

CCOc1cc(OCC)cc(C(=O)Nc2cccc(Oc3cc(-c4nc(C(F)(F)F)c[nH]4)ncn3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LOX P28300 2/20 0.44
LOXL2 Q9Y4K0 2/20 0.44
MAP2K7 O14733 4/20 0.43
KDR P35968 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5457582 0.78 KDR (0.62) KDRBRAF
SCHEMBL5424330 0.75 KMT2A (0.49) KMT2AMEN1SMN1; SMN2TP53MAPT
SCHEMBL5339776 0.75 TRPV1 (0.40) SMN1; SMN2LOXLOXL2NPC1RAB9A
SCHEMBL5340602 0.70 KDR (0.60) KDRFLT3BRAF
SCHEMBL14447678 0.69 TRPV1 (0.39) KMT2AMEN1SMN1; SMN2MAPTKDR
SCHEMBL5430872 0.67 KMT2A (0.54) KMT2AMEN1SMN1; SMN2TP53MAPT
SCHEMBL5430848 0.66 KMT2A (0.58) KMT2AMEN1SMN1; SMN2TP53MAPT
SCHEMBL1042488 0.66 TRPV1 (0.62) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL5338718 0.65 KDR (0.63) KDRBRAF
SCHEMBL5440086 0.64 MAP2K7 (0.46) SMN1; SMN2MAPTALDH1A1MAP2K7KDR

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
WO-2007076474-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 KMT2A 3579/4885MEN1 4274/4885SMN1; SMN2 3826/4885

“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.