SCHEMBL2684044

SCHEMBL2684044

Cc1cnnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL16687371 0.82 BRD4 (0.42) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL23066867 0.82 ALDH1A1 (0.48) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL30578899 0.79 GABRA1 (0.51) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL87573 0.79 GABRA1 (0.51) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL10963157 0.76 SMN1; SMN2 (0.39) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL10205837 0.73 NFKB1 (0.46) PTGS1PTGS2ALDH1A1KDM4ERAB9A
SCHEMBL1357813 0.73 LMNA (0.43) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL30267696 0.73 LMNA (0.43) PTGS1PTGS2GABRA1GABRG2GABRB3
SCHEMBL65672 0.73 CLK4 (0.50) PTGS1PTGS2ALDH1A1KDM4ERAB9A
SCHEMBL10205940 0.72 PTGS1 (0.48) PTGS1PTGS2ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115988-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS EVONIK DEGUSSA GMBH (DE) 2012-05-10 US claimed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-20160079545-A1 Organic Electroluminescence Device UDC Ireland (IE) 2016-03-17 US disclosed
US-9287515-B2 Compositions comprising organic and organometallic compounds, and their applications in organic electroluminescence, light emission, display, and illumination devices UDC Ireland (IE) 2016-03-15 US disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120115988-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS EVONIK DEGUSSA GMBH (DE) 2012-05-10 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-6245947-B1 Treatment for polyether polyols BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 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-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX PTGS1 4579/4885PTGS2 4174/4885GABRA1 3918/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 PTGS1 3242/4885PTGS2 2273/4885GABRA1 3860/4885

“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.