SCHEMBL12759656

SCHEMBL12759656

Cc1nc2c3ccccc3c3ccccc3n2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
PDE10A Q9Y233 11/20 0.51
HAVCR2 Q8TDQ0 1/20 0.51
XDH P47989 1/20 0.40
TP53 P04637 2/20 0.39
PDE5A O76074 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE7B Q9NP56 1/20 0.39
GPR3 P46089 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL21306277 0.78 KDM4E (0.47) HSD17B10KDM4EALDH1A1TSHRLMNA
SCHEMBL11169562 0.75 HSD17B10 (0.52) HSD17B10KDM4EALDH1A1TSHRLMNA
SCHEMBL12838246 0.73 PDE10A (0.67) HSD17B10KDM4ETSHRLMNAPOLB
SCHEMBL21065259 0.73 PDE10A (0.50) HSD17B10KDM4EALDH1A1TSHRLMNA
SCHEMBL11173654 0.72 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1TSHRPOLB
SCHEMBL12145646 0.71 KDM4E (1.00) HSD17B10KDM4EALDH1A1TSHRLMNA
SCHEMBL7398110 0.70 PDE10A (0.63) HSD17B10KDM4ETSHRLMNAPDE10A
SCHEMBL18948427 0.70 PDE10A (0.63) HSD17B10KDM4ETSHRPDE10AHAVCR2
SCHEMBL11170029 0.70 ALDH1A1 (0.55) HSD17B10KDM4EALDH1A1TSHRLMNA
SCHEMBL21306355 0.68 ADORA3 (0.48) MAPTXDHTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 HSD17B10 2456/4885KDM4E 2514/4885ALDH1A1 2296/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 HSD17B10 2456/4885KDM4E 2514/4885ALDH1A1 2296/4885

“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.