SCHEMBL481747

SCHEMBL481747

Nc1ncc(Br)nc1NCC1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
PDE10A Q9Y233 4/20 0.42
ADORA2A P29274 2/20 0.41
IRAK1 P51617 1/20 0.38
PTGER4 P35408 1/20 0.38
CHUK O15111 1/20 0.37
VNN1 O95497 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
BTK Q06187 1/20 0.34
PRKCQ Q04759 4/20 0.34
APP P05067 1/20 0.34
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33

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
SCHEMBL481746 1.00 CCNT1 (0.47) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL481984 0.95 CCNT1 (0.44) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL2211618 0.85 LDHA (0.51) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL1192967 0.83 CCNT1 (0.49) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL4407124 0.82 PDE10A (0.39) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL4407126 0.82 PDE10A (0.39) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL3958963 0.78 CCNT1 (0.43) CCNT1LDHALDHBPDE10AADORA2A
SCHEMBL482035 0.78 MERTK (0.41) CCNT1ADORA2ACHUKADORA3ADORA1
SCHEMBL482033 0.78 MERTK (0.41) CCNT1ADORA2ACHUKADORA3ADORA1
SCHEMBL482115 0.74 APP (0.47) LDHALDHBPDE10AADORA2APTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA CCNT1 2074/4885LDHA 393/4885LDHB 425/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 CCNT1 1490/4885LDHA 354/4885LDHB 349/4885

“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.