SCHEMBL20577964

SCHEMBL20577964

O=C(O)Nc1ccc(F)c(NC(=O)c2cc(F)cc(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 4/20 0.44
GRM5 P41594 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KCNK3 O14649 1/20 0.43
SNCA P37840 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL20577754 0.87 KMT2A (0.61) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL20577988 0.85 RAB9A (0.56) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL28687364 0.83 HDAC3 (0.53) RAB9ANPC1HDAC8HDAC6KCNK3
SCHEMBL20577784 0.82 HDAC1 (0.52) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL20577986 0.82 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20577976 0.80 KCNK3 (0.60) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL20577746 0.80 KCNK3 (0.59) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL29448781 0.80 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPK14MEN1
SCHEMBL21407896 0.79 KCNQ3 (0.56) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL28660926 0.78 KCNQ3 (0.49) RAB9ANPC1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2020-11-24 US disclosed
US-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2019-10-03 US disclosed
EP-3412670-A1 PYRIDINE DERIVATIVE INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2018-12-12 EP 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 (2 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-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof BRAF, KDR, RAF1 RAB9A 933/4885NPC1 4847/4885HDAC1 1995/4885
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof BRAF, KDR, RAF1 RAB9A 933/4885NPC1 4847/4885HDAC1 1995/4885

“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.