SCHEMBL2606040

SCHEMBL2606040

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(C3(c4nc(-c5ccc(C)cc5)nc(-c5ccc(C)cc5)n4)c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NFKB1 P19838 3/20 0.41
▸ NFKB2 Q00653 3/20 0.41
▸ RELA Q04206 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL26728812 0.86 L3MBTL1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26728954 0.86 L3MBTL1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1168392 0.86 L3MBTL1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2606093 0.85 MAPT (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21923480 0.84 PDK2 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12938366 0.83 PDK2 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17031643 0.81 PDK2 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17899968 0.81 MEN1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2605985 0.81 L3MBTL1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26728816 0.80 TSHR (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — 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 (1 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 NPC1 712/4885RAB9A 1189/4885MEN1 428/4885

“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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