SCHEMBL21965504

SCHEMBL21965504

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc8oc9ccccc9c8cc76)n5)ccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
AHR P35869 2/20 0.35
TSHR P16473 2/20 0.34
NPY5R Q15761 1/20 0.33
MAPT P10636 7/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
PTGER4 P35408 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 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
SCHEMBL21965571 1.00 CHEK2 (0.36) CHEK2AHRTSHRNPY5RMAPT
SCHEMBL16160472 0.96 AHR (0.36) CHEK2AHRTSHRMAPTALDH1A1
SCHEMBL16521247 0.96 AHR (0.36) CHEK2AHRTSHRMAPTALDH1A1
SCHEMBL2603558 0.96 AHR (0.38) CHEK2AHRTSHRMAPTALDH1A1
SCHEMBL27324561 0.95 AHR (0.35) CHEK2AHRTSHRMAPTALDH1A1
SCHEMBL21965195 0.95 CHEK2 (0.36) CHEK2AHRTSHRNPY5RMAPT
SCHEMBL21965600 0.95 CHEK2 (0.36) CHEK2AHRTSHRNPY5RMAPT
SCHEMBL17246702 0.94 KDM4E (0.38) CHEK2AHRTSHRNPY5RKDM4E
SCHEMBL16452339 0.94 CHEK2 (0.39) CHEK2AHRTSHRMAPTALDH1A1
SCHEMBL16999674 0.94 MAOA (0.36) CHEK2AHRTSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200144512-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-05-07 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-20200144512-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES GDA, SOD1, GALC CHEK2 3500/4885AHR 2740/4885TSHR 3432/4885

“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.