SCHEMBL20577784

SCHEMBL20577784

Cc1cc(C(=O)Nc2cc(NC(=O)O)ccc2F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPK14 Q16539 3/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
IDO1 P14902 1/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.44
WDR5 P61964 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43

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
SCHEMBL20577988 0.88 RAB9A (0.56) HDAC1HDAC8HDAC6MAPK14RAB9A
SCHEMBL29448771 0.83 MAPK14 (0.45) HDAC1HDAC8HDAC6MAPK14KCNQ3
SCHEMBL20577976 0.83 KCNK3 (0.60) HDAC1HDAC8HDAC6MAPK14RAB9A
SCHEMBL20577964 0.82 RAB9A (0.50) HDAC1HDAC8HDAC6MAPK14RAB9A
SCHEMBL21407896 0.82 KCNQ3 (0.56) HDAC1HDAC8HDAC6MAPK14RAB9A
SCHEMBL17465718 0.82 NPC1 (0.64) RAB9ANPC1KCNQ3KCNQ2IDO1
SCHEMBL20577754 0.82 KMT2A (0.61) HDAC1HDAC8HDAC6MAPK14RAB9A
SCHEMBL28660926 0.81 KCNQ3 (0.49) HDAC1HDAC8HDAC6MAPK14RAB9A
SCHEMBL20577746 0.81 KCNK3 (0.59) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL20577986 0.80 ALDH1A1 (0.56) RAB9ANPC1KMT2AMEN1LMNA

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 HDAC1 1995/4885HDAC8 3334/4885HDAC6 3196/4885
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 HDAC1 1995/4885HDAC8 3334/4885HDAC6 3196/4885

“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.