SCHEMBL9928631

SCHEMBL9928631

CNc1cc(-n2nc(CN3CCS(=O)(=O)CC3)cc2Nc2cc(C(=O)Nc3ccnc(C(C)(C)C)c3)ccc2C)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.45
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ABL1 P00519 3/20 0.40
MAPK14 Q16539 3/20 0.39
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
MAP3K7 O43318 1/20 0.38
FES P07332 1/20 0.38
HCK P08631 1/20 0.38
FER P16591 1/20 0.38
GCK P35557 1/20 0.38
NR2C2 P49116 1/20 0.38
MAP4K2 Q12851 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9928658 0.93 BRAF (0.44) BRAFALDH1A1RAB9ANPC1ABL1
SCHEMBL3588927 0.91 BRAF (0.49) BRAFMAPK14
SCHEMBL9928652 0.85 LCK (0.52) BRAFINSRLCKLYNSRC
SCHEMBL3590773 0.84 BRAF (0.47) BRAFRAB9ANPC1MAPK14INSR
SCHEMBL3588414 0.84 MAPK14 (0.46) BRAFMAPK14
SCHEMBL14218741 0.83 NPC1 (0.42) BRAFALDH1A1RAB9ANPC1MAPK14
SCHEMBL3586666 0.82 BRAF (0.45) BRAFRAB9ANPC1MAPK14INSR
SCHEMBL9967522 0.79 BRAF (0.48) BRAFMAPK14LCKKDRMAPT
SCHEMBL3586410 0.79 MAPK14 (0.51) BRAFMAPK14
SCHEMBL3588520 0.79 MAPK14 (0.54) BRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK BRAF 11/4885ALDH1A1 3998/4885RAB9A 1272/4885

“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.