Sugi Predict

Sugi Predict / Compounds / SCHEMBL18668013

SCHEMBL18668013

SCHEMBL18668013

c1ccc(-c2nc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 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
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ RXRA P19793 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
SCHEMBL18668012 0.95 KMT2A (0.35) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18668008 0.94 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18667908 0.92 CYP1A1 (0.44) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL19844119 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18667507 0.89 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18667907 0.89 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18667512 0.88 KMT2A (0.40) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18667588 0.88 MEN1 (0.36) MEN1KMT2ACYP1A2HSD17B10MAPT
SCHEMBL18667712 0.87 ESR1 (0.39) ALDH1A1KDM4ECYP1A2SMN1; SMN2HSD17B10
SCHEMBL18667701 0.87 HTR6 (0.35) MEN1KMT2AALDH1A1KDM4ETP53

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 MEN1 838/4885KMT2A 828/4885ALDH1A1 486/4885
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 MEN1 838/4885KMT2A 828/4885ALDH1A1 486/4885

“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.