SCHEMBL22177372

SCHEMBL22177372

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.45
▸ KDM4E B2RXH2 9/20 0.45
▸ MAPT P10636 8/20 0.45
▸ NPC1 O15118 8/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ POLB P06746 4/20 0.45
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GLA P06280 2/20 0.40

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
SCHEMBL22177373 0.98 RAB9A (0.43) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22177374 0.95 RAB9A (0.41) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22177366 0.94 RAB9A (0.41) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22177368 0.93 RAB9A (0.43) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22178072 0.91 RAB9A (0.46) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22177369 0.91 MAPT (0.41) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22178117 0.89 RAB9A (0.44) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22178073 0.89 RAB9A (0.44) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL22700196 0.88 LIMK1 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL22178122 0.88 APP (0.49) RAB9AKDM4EMAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2022-12-06 — — US disclosed
US-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-07-02 — — 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-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, CYP1A1 RAB9A 2411/4885KDM4E 2374/4885MAPT 1997/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 RAB9A 2545/4885KDM4E 3498/4885MAPT 1660/4885

“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.

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