SCHEMBL18200596

SCHEMBL18200596

c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)cc5)cc4)nc4ccccc34)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 2/20 0.51
WHR1 P49842 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37

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
SCHEMBL18200416 0.99 MEN1 (0.52) MEN1KMT2AATMWHR1AURKA
SCHEMBL18200934 0.94 MEN1 (0.48) MEN1KMT2AATMWHR1AURKA
SCHEMBL18201122 0.93 MEN1 (0.47) MEN1KMT2AATMWHR1AURKA
SCHEMBL22606573 0.93 MEN1 (0.49) MEN1KMT2AATMWHR1AURKA
SCHEMBL19227301 0.92 MEN1 (0.55) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18200726 0.92 MEN1 (0.47) MEN1KMT2AATMWHR1AURKA
SCHEMBL18201112 0.92 MEN1 (0.60) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18200597 0.92 MEN1 (0.60) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18201205 0.92 MEN1 (0.60) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18201213 0.92 MEN1 (0.60) MEN1KMT2AATMWHR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 MEN1 1750/4885KMT2A 1104/4885ATM 2923/4885

“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.