SCHEMBL2684040

SCHEMBL2684040

Cc1nncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
AKT2 P31751 2/20 0.41
BRD4 O60885 2/20 0.41
CHEK1 O14757 1/20 0.41
AKT1 P31749 1/20 0.41
BRD2 P25440 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL18707651 0.93 NPC1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23012578 0.83 MAOB (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16687371 0.82 BRD4 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23066868 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18713890 0.81 TGFBR1 (0.42) MAOBMEN1NPC1KMT2ARAB9A
SCHEMBL19328777 0.80 GABRG2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18707653 0.80 CCR1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL87573 0.79 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30578899 0.79 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10953892 0.78 MAPT (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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 12 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-20170094971-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLICATION OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2017-04-06 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 (3 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-20170094971-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLICATION OF SAME BROX, HAX1, CHRM1 GABRA1 3018/4885GABRG2 2057/4885GABRB3 2993/4885
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX GABRA1 3918/4885GABRG2 4418/4885GABRB3 3783/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 GABRA1 3860/4885GABRG2 4427/4885GABRB3 3084/4885

“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.