SCHEMBL21716558

SCHEMBL21716558

c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c3ccccc3n2)cc(-n2c3ccccc3c3cc4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4cc32)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.31
RPA1 P27694 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
VDR P11473 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
AHR P35869 1/20 0.30
NR1I3 Q14994 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
SCHEMBL21716506 0.99 MEN1 (0.35) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL21717192 0.96 RPA1 (0.33) MEN1KMT2AATMHPGDRPA1
SCHEMBL21717679 0.95 MEN1 (0.31) MEN1KMT2AATM
SCHEMBL21717675 0.95 RPA1 (0.35) MEN1KMT2AATMHPGDRPA1
SCHEMBL21716328 0.94 MEN1 (0.31) MEN1KMT2AATM
SCHEMBL21717071 0.94 MEN1 (0.34) MEN1KMT2AATMHPGDRPA1
SCHEMBL21213785 0.90 ATM (0.39) MEN1KMT2AATMHPGDRPA1
SCHEMBL21716590 0.90 RPA1 (0.32) MEN1KMT2AATMHPGDRPA1
SCHEMBL21716880 0.89 RPA1 (0.32) MEN1KMT2AATMHPGDRPA1
SCHEMBL21717154 0.89 HPGD (0.31) HPGDRPA1

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 MEN1 200/4885KMT2A 878/4885ATM 3428/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 MEN1 200/4885KMT2A 878/4885ATM 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.