SCHEMBL21717675

SCHEMBL21717675

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc4ccccc34)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PMM2 O15305 1/20 0.30
MPI P34949 1/20 0.30
PHOSPHO1 Q8TCT1 1/20 0.30
CCR4 P51679 1/20 0.30

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
SCHEMBL21717071 0.99 MEN1 (0.34) RPA1AURKAAURKBHPGDMEN1
SCHEMBL21717192 0.97 RPA1 (0.33) RPA1AURKAAURKBHPGDMEN1
SCHEMBL21716590 0.95 RPA1 (0.32) RPA1AURKAAURKBHPGDMEN1
SCHEMBL21716558 0.95 MEN1 (0.34) RPA1HPGDMEN1KMT2AATM
SCHEMBL21716880 0.94 RPA1 (0.32) RPA1AURKAAURKBHPGDMEN1
SCHEMBL21716506 0.94 MEN1 (0.35) MEN1KMT2AATM
SCHEMBL21213785 0.92 ATM (0.39) RPA1AURKAAURKBHPGDMEN1
SCHEMBL21716309 0.90 HPGD (0.31) RPA1HPGD
SCHEMBL21717154 0.90 HPGD (0.31) RPA1HPGD
SCHEMBL21717215 0.89 HPGD (0.33) RPA1HPGDATM

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 RPA1 1848/4885AURKA 1444/4885AURKB 1869/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 RPA1 1848/4885AURKA 1444/4885AURKB 1869/4885

“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.