SCHEMBL17805945

SCHEMBL17805945

Cc1ncc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ PSMB5 P28074 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ COMT P21964 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL2616801 0.93 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17055533 0.91 RAB9A (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17055529 0.84 NPC1 (0.71) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL19037254 0.84 L3MBTL1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL17055440 0.82 NPC1 (0.74) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL12786339 0.80 NPC1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29457649 0.79 CYP2A6 (0.58) RAB9ANPC1L3MBTL1ALDH1A1PDGFRB
SCHEMBL21808799 0.79 CYP2A6 (0.58) RAB9ANPC1L3MBTL1ALDH1A1PDGFRB
SCHEMBL23253726 0.78 PSMB5 (0.33) PSMB5PDGFRBPDGFRA
SCHEMBL10021910 0.77 NPC1 (0.35) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935129-B1 LIGANDS FOR NANO-SIZED MATERIALS MERCK PATENT GMBH (DE) 2023-11-29 — — EP disclosed
US-11778907-B2 Composition for organic electronic devices MERCK PATENT GMBH (DE) 2023-10-03 — — US disclosed
EP-3237387-B1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2023-09-06 — — EP disclosed
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — US disclosed
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 — — US disclosed
EP-3712229-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-09-23 — — EP disclosed
US-10777750-B2 Heterocyclic spiro compounds BASF SE (DE) 2020-09-15 — — US disclosed
EP-3027708-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-13 — — EP disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 — — US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 — — US disclosed
US-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 — — US disclosed
US-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 — — US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 — — US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 — — US disclosed
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — US disclosed
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — 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 (7 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-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, LEF1, KCNC1 RAB9A 1310/4885NPC1 2156/4885SMN1; SMN2 2008/4885
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 RAB9A 1935/4885NPC1 2116/4885SMN1; SMN2 3900/4885
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 RAB9A 1107/4885NPC1 4210/4885SMN1; SMN2 3265/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 RAB9A 1107/4885NPC1 4210/4885SMN1; SMN2 3265/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 RAB9A 1935/4885NPC1 2116/4885SMN1; SMN2 3900/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 RAB9A 1935/4885NPC1 2116/4885SMN1; SMN2 3900/4885
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES EPX, EFNA1, GPX4 RAB9A 2571/4885NPC1 4834/4885SMN1; SMN2 1204/4885

“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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