SCHEMBL22017817

SCHEMBL22017817

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c(cc45)C4(c5ccccc5Sc5ccccc54)c4ccccc4-6)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
DHFR P00374 1/20 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
SCHEMBL22017824 0.99 WHR1 (0.35) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL22017821 0.97 MEN1 (0.36) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL24330914 0.97 WHR1 (0.37) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL24330909 0.96 WHR1 (0.37) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL24330331 0.96 WHR1 (0.37) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL24330863 0.95 MEN1 (0.40) WHR1MEN1KMT2AATM
SCHEMBL24330854 0.95 MEN1 (0.40) WHR1MEN1KMT2AATM
SCHEMBL22017820 0.94 MEN1 (0.33) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL24182729 0.94 WHR1 (0.35) WHR1MEN1KMT2AATMCSNK2A2
SCHEMBL24330102 0.93 KMT2A (0.35) WHR1MEN1KMT2AATM

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-20220123225-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-04-21 US disclosed
WO-2020101316-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2020-05-22 WO 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-20220123225-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 WHR1 448/4885MEN1 343/4885KMT2A 794/4885

“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.