SCHEMBL737261

SCHEMBL737261

Cc1cnc2c(Br)ccc(F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
KDM4E B2RXH2 2/20 0.35
PSMD14 O00487 1/20 0.35
COPS5 Q92905 1/20 0.35
KAT2B Q92831 1/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
PDK2 Q15119 1/20 0.33
TET2 Q6N021 1/20 0.33
CYP1A2 P05177 1/20 0.32
PARP1 P09874 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL22326641 0.85 CCR1 (0.48) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL24716089 0.79 KDM4E (0.51) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL24715871 0.76 CCR1 (0.40) CCR1CCR5CCR8KAT2B
SCHEMBL737118 0.75 CCR1 (0.39) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL27692215 0.75 CCR1 (0.39) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL22326640 0.74 CCR1 (0.45) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL18710738 0.73 KDM4E (0.40) CCR1CCR5CCR8KDM4ETET2
SCHEMBL740066 0.73 NPC1 (0.40) KDM4ERXRAGRIN1GRIN2BCYP1A2
SCHEMBL21123085 0.70 CYP1A2 (0.41) CCR1CCR5CCR8KDM4EKAT2B
SCHEMBL18710644 0.70 NR4A2 (0.40) KDM4EPDK2PARP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 CCR1 917/4885CCR5 2093/4885CCR8 1303/4885

“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.