SCHEMBL2401153

SCHEMBL2401153

NC(=O)C1CCC(Nc2nccs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CD38 P28907 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 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
SCHEMBL2401148 1.00 NPC1 (0.48) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL2402987 0.86 KDM4E (0.51) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL2402980 0.86 KDM4E (0.51) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL28198370 0.83 — —
SCHEMBL12574025 0.77 MEN1 (0.57) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL28171744 0.76 MEN1 (0.47) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL14654943 0.76 MAPT (0.45) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL5112007 0.75 TSHR (0.59) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL3449454 0.75 MEN1 (0.46) NPC1MEN1KMT2ATSHREPHX2
SCHEMBL29587148 0.74 MEN1 (0.44) NPC1MEN1KMT2ATSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 — — US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 — — US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 — — US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 — — US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 — — 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 NPC1 4514/4885MEN1 4124/4885KMT2A 1733/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 NPC1 4514/4885MEN1 4124/4885KMT2A 1733/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 NPC1 4514/4885MEN1 4124/4885KMT2A 1733/4885

“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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