SCHEMBL22693258

SCHEMBL22693258

c1ccc(Nc2ncccc2-c2ncnc3[nH]cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.52
PIK3CA P42336 5/20 0.49
PIK3CG P48736 3/20 0.49
PIK3CD O00329 2/20 0.49
BRAF P15056 4/20 0.44
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
GRM4 Q14833 1/20 0.43
KDR P35968 4/20 0.42
RAF1 P04049 1/20 0.42
DYRK1A Q13627 1/20 0.42
LCK P06239 1/20 0.42
TEK Q02763 1/20 0.42
DHODH Q02127 1/20 0.41
PIK3CB P42338 2/20 0.41
CLK1 P49759 1/20 0.40

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
SCHEMBL19233401 0.85 BRAF (0.49) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL114500 0.84 MTOR (0.74) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL19233387 0.82 MTOR (0.44) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL114187 0.81 PIK3CA (0.76) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL891009 0.79 TTBK1 (0.57) TTBK1TTBK2DYRK1A
SCHEMBL19233303 0.79 KDR (0.49) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL28668955 0.79 MTOR (0.43) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL24885729 0.78 BRAF (0.46) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL30078235 0.78 BRAF (0.46) MTORPIK3CAPIK3CGPIK3CDBRAF
SCHEMBL19233202 0.78 KDR (0.51) MTORPIK3CAPIK3CGPIK3CDBRAF

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 1 patent. 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

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-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 MTOR 1009/4885PIK3CA 108/4885PIK3CG 322/4885

“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.