Sugi Predict

Sugi Predict / Compounds / SCHEMBL18668015

SCHEMBL18668015

SCHEMBL18668015

c1ccc(-c2nc(-c3ccc(-n4c5c6ccccc6ccc5c5c6ccccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PDPK1 O15530 6/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ MAPK9 P45984 2/20 0.33

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
SCHEMBL18668011 0.94 MAPT (0.39) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL18668014 0.93 MAPT (0.38) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL18667906 0.92 CYP1A1 (0.44) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL19844121 0.92 MEN1 (0.38) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL24362125 0.91 SMN1; SMN2 (0.41) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL18667511 0.89 MAPT (0.41) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL18667902 0.89 MAPT (0.41) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL23741632 0.89 MAPT (0.38) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL18667514 0.88 MAPT (0.40) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL18667586 0.88 MAPT (0.37) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A

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-10421721-B2 Heterocyclic compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2019-09-24 — — US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 — — US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 — — US disclosed
WO-2017047992-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-03-23 — — WO 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-10421721-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CRY2, PER2 CYP1A2 54/4885SMN1; SMN2 4259/4885MEN1 838/4885
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 CYP1A2 54/4885SMN1; SMN2 4259/4885MEN1 838/4885

“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.