SCHEMBL18804103

SCHEMBL18804103

c1cnc2c(c1)ccc1ccc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.37
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35
CCR1 P32246 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL18804066 0.91 TOP1 (0.40) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL18804084 0.91 TOP1 (0.38) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL18846895 0.89 TOP1 (0.35) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL18846958 0.88 TOP1 (0.35) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL26009801 0.85 LMNA (0.38) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL21119766 0.84 LMNA (0.36) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL23681372 0.83 LIMK1 (0.36) DHODH
SCHEMBL23682147 0.83 TP53 (0.37) LMNAKDM4EMAPTTP53NFKB1
SCHEMBL23681617 0.83 LIMK1 (0.36) DHODH
SCHEMBL23681334 0.83 LIMK1 (0.36) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162806-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LT MATERIALS CO LTD (KR) 2023-08-23 EP disclosed
US-10644244-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2020-05-05 US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 US disclosed
EP-3162806-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2017-05-03 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 (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-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA TOP1 2873/4885LMNA 1351/4885KDM4E 3298/4885
US-10644244-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA TOP1 2873/4885LMNA 1351/4885KDM4E 3298/4885

“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.