SCHEMBL4407124

SCHEMBL4407124

COC1CCC(CNc2nc(Br)cnc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
ADORA2A P29274 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CCNT1 O60563 1/20 0.36
MAPK8 P45983 4/20 0.35
PTGER4 P35408 1/20 0.35
MAPK9 P45984 1/20 0.34
PRKCQ Q04759 4/20 0.34
PRKCD Q05655 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
CHUK O15111 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
SCHEMBL4407126 1.00 PDE10A (0.39) PDE10ALDHALDHBADORA2ATRPM8
SCHEMBL481747 0.82 CCNT1 (0.47) PDE10ALDHALDHBADORA2ACCNT1
SCHEMBL481746 0.82 CCNT1 (0.47) PDE10ALDHALDHBADORA2ACCNT1
SCHEMBL2211618 0.82 LDHA (0.51) PDE10ALDHALDHBADORA2ACCNT1
SCHEMBL1192967 0.80 CCNT1 (0.49) PDE10ALDHALDHBADORA2ACCNT1
SCHEMBL2210308 0.80 MAPK8 (0.44) ADORA2AMAPK8MAPK9JAK1TYK2
SCHEMBL2210310 0.80 MAPK8 (0.44) ADORA2AMAPK8MAPK9JAK1TYK2
SCHEMBL481984 0.78 CCNT1 (0.44) PDE10ALDHALDHBADORA2ACCNT1
SCHEMBL3958963 0.75 CCNT1 (0.43) PDE10ALDHALDHBADORA2ACCNT1
SCHEMBL4409858 0.71 JAK1 (0.42) ADORA2ACCNT1JAK1TYK2

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-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-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 (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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 PDE10A 4136/4885LDHA 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.