SCHEMBL18845825

SCHEMBL18845825

c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5sc7ccccc7c56)cc4)cc3)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.35
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
CDK1 P06493 2/20 0.32
MAPKAPK2 P49137 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL18846958 0.88 TOP1 (0.35) TOP1LMNAKDM4EMAPTCCR1
SCHEMBL21119983 0.88 LMNA (0.36) TOP1LMNAKDM4EMAPTCCR1
SCHEMBL21119791 0.87 LMNA (0.40) TOP1LMNAKDM4EMAPTCCR1
SCHEMBL18846895 0.87 TOP1 (0.35) TOP1LMNAKDM4EMAPTCCR1
SCHEMBL23197530 0.87 DHFR (0.34) CDK1MAPKAPK2DHODH
SCHEMBL18804066 0.85 TOP1 (0.40) TOP1LMNAKDM4EMAPTCCR1
SCHEMBL23197522 0.85 CDK1 (0.34) CDK1MAPKAPK2
SCHEMBL22913658 0.85 LIMK1 (0.35) CDK1MAPKAPK2MEN1KMT2ADHODH
SCHEMBL18200858 0.85 TOP1 (0.40) TOP1LMNAKDM4EMAPTCCR1
SCHEMBL18845737 0.85 RAB9A (0.43) LMNAKDM4EMAPTCDK1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10446765-B2 Heterocyclic compound and organic light emitting element using same HEESUNG MATERIAL LTD. (KR) 2019-10-15 US disclosed
US-20170133602-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-11 US disclosed
US-20170133602-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-11 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-20170133602-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME CRY1, CRY2, PER2 TOP1 3217/4885LMNA 3412/4885KDM4E 1869/4885
US-10446765-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, PER2 TOP1 3217/4885LMNA 3412/4885KDM4E 1869/4885

“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.