SCHEMBL18200641

SCHEMBL18200641

c1ccc2c(-c3nc4ccccc4c4c3ccc3ccccc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 3/20 0.40
TOP2A P11388 1/20 0.39
HPRT1 P00492 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
ATM Q13315 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL18201278 0.90 TOP2A (0.36) CYP1A2MEN1KMT2AADORA2ATOP2A
SCHEMBL18200646 0.87 ENPP3 (0.41) CYP1A2MEN1KMT2AADORA2AALDH1A1
SCHEMBL18200412 0.86 ATM (0.51) CYP1A2MEN1KMT2AADORA2AALDH1A1
SCHEMBL18201034 0.86 CA12 (0.43) CYP1A2MEN1KMT2AADORA2AALDH1A1
SCHEMBL18200906 0.86 MEN1 (0.43) CYP1A2MEN1KMT2ATOP2AALDH1A1
SCHEMBL18201044 0.85 PRKCZ (0.44) CYP1A2ALDH1A1MAPTHPGDKDM4E
SCHEMBL18200594 0.85 ATM (0.50) CYP1A2MEN1KMT2AADORA2AALDH1A1
SCHEMBL18200639 0.85 MAPT (0.41) CYP1A2MEN1KMT2AADORA2AALDH1A1
SCHEMBL18200381 0.84 MEN1 (0.43) CYP1A2MEN1KMT2AADORA2AALDH1A1
SCHEMBL21537831 0.84 CYP1A2 (0.53) CYP1A2MEN1KMT2AADORA2ATOP2A

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 CYP1A2 134/4885MEN1 1750/4885KMT2A 1104/4885

“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.