SCHEMBL19998008

SCHEMBL19998008

c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
HRH4 Q9H3N8 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCI P41743 3/20 0.32
ALDH1A1 P00352 2/20 0.31
HTR2C P28335 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31

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
SCHEMBL18165442 0.89 PIK3CA (0.39) PIK3CAHRH4ABCG2ATMKDM4E
SCHEMBL19247972 0.87 PIK3CA (0.39) PIK3CAHRH4ABCG2ATMKDM4E
SCHEMBL19119746 0.87 PIK3CA (0.39) PIK3CAHRH4ABCG2PRKCIHTR2C
SCHEMBL17030478 0.87 KDM4E (0.36) PIK3CAHRH4ABCG2ATMKDM4E
SCHEMBL19248061 0.87 PIK3CA (0.36) PIK3CAHRH4ABCG2ATMKDM4E
SCHEMBL19120223 0.86 PIK3CA (0.38) PIK3CAHRH4ABCG2PRKCIHTR2C
SCHEMBL20655842 0.86 PIK3CA (0.38) PIK3CAHRH4ABCG2PRKCIHTR2C
SCHEMBL17251057 0.85 PIK3CA (0.38) PIK3CAHRH4ABCG2ATMKDM4E
SCHEMBL20655792 0.85 PIK3CA (0.37) PIK3CAHRH4PRKCIHTR2CTNKS
SCHEMBL19119964 0.85 PIK3CA (0.39) PIK3CAHRH4ABCG2PRKCIHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 PIK3CA 1232/4885HRH4 3318/4885ABCG2 3475/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 PIK3CA 1232/4885HRH4 3318/4885ABCG2 3475/4885

“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.