SCHEMBL15540789

SCHEMBL15540789

CCOC(=O)c1coc(-c2ccc3c(c2)CCO3)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ CLK1 P49759 2/20 0.66
▸ PLA2G10 O15496 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALPL P05186 1/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 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
SCHEMBL17055675 0.83 HSD17B10 (0.57) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL16767389 0.82 PLA2G10 (0.60) NPC1RAB9ACLK1PLA2G10KDM4E
SCHEMBL16366032 0.78 CLK1 (0.75) NPC1RAB9ACLK1PLA2G10KDM4E
SCHEMBL26315180 0.77 HDAC1 (0.61) KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL16398593 0.76 UTRN (0.42) NPC1RAB9ACLK1KDM4ENLRP3
SCHEMBL3001426 0.76 NLRP3 (0.49) NPC1RAB9ACLK1KDM4EKMT2A
SCHEMBL3070077 0.76 PDE4B (0.53) —
SCHEMBL4280780 0.75 S1PR1 (0.50) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL1931403 0.75 ACR (0.45) NPC1RAB9AKDM4ENLRP3MAPT
SCHEMBL24339961 0.74 ELANE (0.53) NPC1RAB9AKMT2AMAPTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 — — US disclosed
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 — — US disclosed
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 — — US disclosed
US-9580438-B2 Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH (DE) 2017-02-28 — — US disclosed
US-9580438-B2 Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH (DE) 2017-02-28 — — US disclosed
US-9580438-B2 Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH (DE) 2017-02-28 — — US disclosed
US-20150158878-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2015-06-11 — — US disclosed
US-20150158878-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2015-06-11 — — US disclosed
US-20150158878-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2015-06-11 — — US disclosed
EP-2867237-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC Discovery GmbH (DE) 2015-05-06 — — EP disclosed
WO-2014001464-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2014-01-03 — — 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-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS CNKSR1, TYK2, ERBB2 NPC1 3777/4885RAB9A 2636/4885CLK1 135/4885
US-20150158878-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS CHUK, KYNU, BLK NPC1 3342/4885RAB9A 3046/4885CLK1 83/4885

“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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