SCHEMBL737760

SCHEMBL737760

C#Cc1ccc(F)c2ccc(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
RAB9A P51151 1/20 0.38
CCR5 P51681 1/20 0.38
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
METAP2 P50579 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
SCHEMBL31467819 0.83 TDP1 (0.44) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL27692270 0.83 CCR1 (0.38) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL739368 0.76 PDE10A (0.38)
SCHEMBL16705096 0.76 KMT2A (0.50) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL11901636 0.73 KDM4E (0.44) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL737630 0.73 CCR1 (0.41) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL4736856 0.71 CCR1 (0.40) CCR1RAB9ACCR5TDP1L3MBTL1
SCHEMBL739894 0.70 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL739868 0.70 KDM4E (0.56) CCR1CCR5KMT2AMAPTTDP1
SCHEMBL6370696 0.70 CCR1 (0.39) CCR1RAB9ACCR5OPRK1KMT2A

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 5 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
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 917/4885RAB9A 2661/4885CCR5 2093/4885

“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.