SCHEMBL4084208

SCHEMBL4084208

COc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(C)n5)cc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.46
ITK Q08881 7/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LRRK2 Q5S007 1/20 0.43
BTK Q06187 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
CDK4 P11802 2/20 0.41
CCNA2 P20248 2/20 0.41
CCND1 P24385 2/20 0.41
CDK2 P24941 2/20 0.41
KDR P35968 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL13811896 0.84 ADORA1 (0.38) TTKITKLRRK2CDK4CCNA2
SCHEMBL5383383 0.83 TTK (0.46) TTKITKNPC1RAB9ALRRK2
SCHEMBL4083523 0.82 CSNK1D (0.44) TTKITKNPC1RAB9ALRRK2
SCHEMBL5372615 0.82 CSNK1D (0.54) TTKITKNPC1RAB9ALRRK2
SCHEMBL4090728 0.81 TLR9 (0.45) TTKITKNPC1RAB9ALRRK2
SCHEMBL8434596 0.80 MAP2K4 (0.56) ITKLRRK2CDK2FLT3AURKB
SCHEMBL4089558 0.80 ROCK2 (0.46) TTKITKNPC1RAB9ALRRK2
SCHEMBL4093223 0.79 CLK2 (0.56) PDGFRBFLT3GSK3BDYRK1A
SCHEMBL4080247 0.79 LRRK2 (0.52) TTKITKNPC1RAB9ALRRK2
SCHEMBL5246773 0.79 CSNK1D (0.68) TTKITKRAB9ALRRK2HTR2A

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 TTK 401/4885ITK 74/4885NPC1 2971/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885ITK 77/4885NPC1 2941/4885

“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.