SCHEMBL17831013

SCHEMBL17831013

Cc1cc(C)cc(N2c3nccnc3N(c3ccccc3C)C2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.33
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL19999697 1.00 SMN1; SMN2 (0.37) SMN1; SMN2GFERALDH1A1KDM4EMAPT
SCHEMBL19999700 0.89 ALDH1A1 (0.39) SMN1; SMN2GFERALDH1A1KDM4EMAPT
SCHEMBL21074282 0.89 ALDH1A1 (0.39) SMN1; SMN2GFERALDH1A1KDM4EMAPT
SCHEMBL16220758 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL15631672 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL19224778 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL16549064 0.84 LMNA (0.43) SMN1; SMN2GFERKDM4EMAPTLMNA
SCHEMBL16439035 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL17831015 0.83 GRM5 (0.34) SMN1; SMN2GFER
SCHEMBL16439037 0.83 GRM5 (0.34) SMN1; SMN2GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3492480-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-10-20 EP disclosed
US-10290817-B2 Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs UDC IRELAND LIMITED (IE) 2019-05-14 US disclosed
US-20160172606-A1 LUMINESCENT DIAZA-MONOAZA-AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS BASF SE (DE) 2016-06-16 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-20160172606-A1 LUMINESCENT DIAZA-MONOAZA-AND BENZIMIDAZOLE METAL CARBENE COMPLEXES FOR USE IN ELECTRONIC DEVICES SUCH AS OLEDS OCIAD1, OCIAD2, OXA1L SMN1; SMN2 3787/4885GFER 1538/4885ALDH1A1 857/4885
US-10290817-B2 Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs OCIAD1, OCIAD2, OXA1L SMN1; SMN2 3787/4885GFER 1538/4885ALDH1A1 857/4885

“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.