SCHEMBL6984735

SCHEMBL6984735

Cc1nnc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.73
ALDH1A1 P00352 5/20 0.73
HPGD P15428 4/20 0.73
HSD17B10 Q99714 4/20 0.73
TSHR P16473 4/20 0.73
CYP1A2 P05177 4/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
NOTUM Q6P988 2/20 0.49
KDM4E B2RXH2 5/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
POLB P06746 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL9195816 0.87 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL13863981 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL15272302 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL27477472 0.81 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL14595149 0.81 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL6978766 0.79 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL23451476 0.79 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL8158596 0.79 HSD17B10 (0.63) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL27477057 0.78 NPC1 (0.73) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL14491136 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137228-B1 PHOTOPOLYMERIZABLE COMPOSITION FUJI PHOTO FILM CO., LTD. (JP) 1988-10-05 EP claimed
EP-2067778-B1 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LAB (JP) 2016-08-17 EP disclosed
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 US disclosed
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-18 US disclosed
US-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-18 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-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SLC1A2, SLC18A2, SLC18A3 SMN1; SMN2 4124/4885ALDH1A1 1610/4885HPGD 2143/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 SMN1; SMN2 233/4885ALDH1A1 1185/4885HPGD 157/4885

“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.