SCHEMBL2852440

SCHEMBL2852440

CC(C)(C#N)c1cccc(C(=O)Nc2cccc(N)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.67
BRAF P15056 17/20 0.65
CYP2C9 P11712 5/20 0.57
BTK Q06187 1/20 0.53

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
SCHEMBL827485 0.86 MEN1 (0.62) BRAFCYP2C9
SCHEMBL2849205 0.86 BRAF (0.69) BRAFCYP2C9
SCHEMBL20578030 0.86 BRAF (0.56) PTGS1BRAFCYP2C9
SCHEMBL2190254 0.84 BRAF (0.57) BRAFCYP2C9
SCHEMBL1697887 0.84 BRAF (0.68) BRAFCYP2C9
SCHEMBL21316881 0.84 PTGS1 (0.73) PTGS1BTK
SCHEMBL2860185 0.84 BRAF (0.60) BRAFCYP2C9
SCHEMBL1697968 0.83 BRAF (0.59) BRAFCYP2C9
SCHEMBL5004766 0.83 BRAF (0.59) PTGS1BRAFCYP2C9
SCHEMBL5000900 0.83 BRAF (0.63) BRAFCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3412670-B1 PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2022-03-09 EP disclosed
CN-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 CN disclosed
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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 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 (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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 PTGS1 2022/4885BRAF 1/4885CYP2C9 2054/4885
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 PTGS1 1195/4885BRAF 1/4885CYP2C9 1638/4885
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 PTGS1 1195/4885BRAF 1/4885CYP2C9 1638/4885

“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.