SCHEMBL1521633

SCHEMBL1521633

CNc1cc2c(cn1)CN(c1cc(NC(=O)Nc3cc(C(C)(C)C)on3)c(F)cc1C)C(=O)N2C.CS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF known ✓ P15056 2/20 0.39
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
RAF1 P04049 3/20 0.41
MAPK3 P27361 2/20 0.41
CSF1R P07333 1/20 0.41
MAPK14 Q16539 4/20 0.39
FLT3 P36888 6/20 0.38
MAPK13 O15264 1/20 0.38
RET P07949 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1521888 0.97 RAB9A (0.45) RAB9ANPC1RAF1MAPK3CSF1R
SCHEMBL1521988 0.89 BRAF (0.46) RAF1MAPK14BRAFMAPK13RET
SCHEMBL1521923 0.87 RAB9A (0.43) RAB9ANPC1RAF1MAPK3CSF1R
SCHEMBL1521554 0.86 BRAF (0.48) RAF1MAPK14BRAFMAPK13RET
SCHEMBL1521517 0.85 ABL1 (0.44) RAB9ANPC1MAPK14RET
SCHEMBL1521957 0.85 BRAF (0.37) RAB9ANPC1RAF1MAPK3CSF1R
SCHEMBL1521634 0.85 RAF1 (0.30) RAF1MAPK3BRAF
SCHEMBL1521616 0.84 BRAF (0.37) RAB9ANPC1RAF1MAPK3CSF1R
SCHEMBL1521597 0.83 BRAF (0.36) RAB9ANPC1RAF1CSF1RBRAF
SCHEMBL1521960 0.83 BRAF (0.37) RAF1MAPK14BRAFRET

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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 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 (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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 BRAF 1/4885RAB9A 1244/4885NPC1 4287/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 BRAF 1/4885RAB9A 1244/4885NPC1 4287/4885

“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.