SCHEMBL21717239

SCHEMBL21717239

c1ccc2cc(-c3nc(-c4ccc5cc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc8ccccc8cc76)ccc5c4)nc4ccccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.36
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.34
PKN2 Q16513 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL21717314 1.00 AURKA (0.39) AURKAAURKBATMMEN1KMT2A
SCHEMBL21717116 0.93 AURKA (0.35) AURKAAURKBATMMEN1KMT2A
SCHEMBL21716300 0.93 MEN1 (0.38) AURKAAURKBATMMEN1KMT2A
SCHEMBL21716329 0.93 AURKA (0.36) AURKAAURKBATMMEN1KMT2A
SCHEMBL21716375 0.93 MEN1 (0.38) AURKAAURKBATMMEN1KMT2A
SCHEMBL21161347 0.92 ATM (0.44) AURKAAURKBATMMEN1KMT2A
SCHEMBL21213042 0.92 ATM (0.44) AURKAAURKBATMMEN1KMT2A
SCHEMBL21717334 0.92 ATM (0.38) AURKAAURKBATMMEN1KMT2A
SCHEMBL21161312 0.91 ATM (0.41) AURKAAURKBATMMEN1KMT2A
SCHEMBL21161350 0.91 ATM (0.48) AURKAAURKBATMMEN1KMT2A

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 AURKA 1444/4885AURKB 1869/4885ATM 3428/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 AURKA 1444/4885AURKB 1869/4885ATM 3428/4885

“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.