SCHEMBL3387639

SCHEMBL3387639

O=C(Nc1cccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.59
FGFR1 P11362 5/20 0.57
DDR2 Q16832 5/20 0.57
EPHX2 P34913 1/20 0.55
WNT1 P04628 2/20 0.55
DYRK1A Q13627 2/20 0.55
LMNA P02545 2/20 0.52
LCK P06239 1/20 0.51
MAPK14 Q16539 1/20 0.51
KDR P35968 1/20 0.51
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
TRPV4 Q9HBA0 1/20 0.49

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
SCHEMBL3384270 0.95 EPHX2 (0.56) BRAFFGFR1DDR2EPHX2WNT1
SCHEMBL3387590 0.91 BRAF (0.58) BRAFFGFR1DDR2EPHX2WNT1
SCHEMBL3384904 0.90 DDR2 (0.66) BRAFFGFR1DDR2WNT1DYRK1A
SCHEMBL3384692 0.87 BRAF (0.54) BRAFFGFR1DDR2EPHX2WNT1
SCHEMBL3382973 0.83 BRAF (0.61) BRAFEPHX2WNT1DYRK1AMAPK14
SCHEMBL3382786 0.80 NTRK1 (0.56) FGFR1DDR2DYRK1ALMNALCK
SCHEMBL3386350 0.79 DYRK1A (0.55) BRAFEPHX2WNT1DYRK1AMAPK14
SCHEMBL27845037 0.78 BRAF (0.64) BRAFFGFR1DDR2
SCHEMBL28037841 0.77 EPHX2 (0.72) EPHX2LMNA
SCHEMBL3386050 0.77 DDR2 (0.54) BRAFFGFR1DDR2DYRK1ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US claimed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US disclosed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 US disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO 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-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT RAF1, RET, KDR BRAF 5/4885FGFR1 9/4885DDR2 259/4885

“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.