SCHEMBL5002006

SCHEMBL5002006

COc1nc(C)cnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.44
SQOR Q9Y6N5 1/20 0.44
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL5010264 0.83 PDGFRB (0.41) KMT2ASQORALDH1A1PKMADORA1
SCHEMBL2684042 0.79 CKS1B (0.58) SMN1; SMN2KMT2AMAPTALDH1A1KDM4E
SCHEMBL29476061 0.77 JAK3 (0.56) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL30285847 0.77 CKS1B (0.56) SMN1; SMN2KMT2AMAPTALDH1A1KDM4E
SCHEMBL3335530 0.77 JAK3 (0.56) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL7803037 0.76 EDNRA (0.39) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL29403615 0.76 JAK3 (0.54) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL31032716 0.76 JAK3 (0.54) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL28313697 0.76 JAK3 (0.54) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL27825747 0.76 JAK3 (0.54) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541574-B2 Organometallic complex, and light-emitting element, light-emitting device and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-09-24 US disclosed
US-8541574-B2 Organometallic complex, and light-emitting element, light-emitting device and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-09-24 US disclosed
US-8541574-B2 Organometallic complex, and light-emitting element, light-emitting device and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-09-24 US disclosed
US-20130079516-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079516-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079516-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-28 US disclosed
US-20080312437-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABRATORY CO., LTD. 2008-12-18 US disclosed
US-20080312437-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABRATORY CO., LTD. 2008-12-18 US disclosed
US-20080312437-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABRATORY CO., LTD. 2008-12-18 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 (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-20080312437-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Organometallic Complex NR2E3, AP2M1, AP3M1 SMN1; SMN2 4588/4885NPC1 4227/4885NFKB1 3016/4885

“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.