SCHEMBL23797948

SCHEMBL23797948

COC(=O)c1ccc(C)c(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.61
RAB9A P51151 7/20 0.61
HSP90AA1 P07900 1/20 0.61
ALDH1A1 P00352 3/20 0.56
KDR P35968 2/20 0.54
BRAF P15056 1/20 0.51
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
FLT1 P17948 1/20 0.50
LCK P06239 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
AHR P35869 1/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL23797943 0.91 KDR (0.55) NPC1RAB9AHSP90AA1ALDH1A1KDR
SCHEMBL2856533 0.90 NPC1 (0.61) NPC1RAB9AHSP90AA1ALDH1A1KDR
SCHEMBL2456164 0.86 KDR (0.56) NPC1RAB9AHSP90AA1KDRBRAF
SCHEMBL2860133 0.85 KDR (0.55) NPC1RAB9AHSP90AA1KDRBRAF
SCHEMBL2853876 0.83 NPC1 (0.51) NPC1RAB9AHSP90AA1ALDH1A1KDR
SCHEMBL13293976 0.83 KDR (0.57) NPC1RAB9AHSP90AA1KDRBRAF
SCHEMBL23797932 0.82 NPC1 (0.64) NPC1RAB9AHSP90AA1ALDH1A1KDR
SCHEMBL2450603 0.81 KDR (0.55) NPC1RAB9AKDRBRAFPDGFRB
SCHEMBL12334321 0.81 KDR (0.51) NPC1RAB9AHSP90AA1KDRBRAF
SCHEMBL13166396 0.81 BRAF (0.64) NPC1RAB9AHSP90AA1KDRBRAF

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
US-12415816-B2 Benzothiazole derivatives and 7-aza-benzothiazole derivatives as janus kinase 2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-09-16 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 US disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 US disclosed
EP-3876939-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-15 EP 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-12415816-B2 Benzothiazole derivatives and 7-aza-benzothiazole derivatives as janus kinase 2 inhibitors and uses thereof JAK2, JAK1, JAK3 NPC1 2801/4885RAB9A 3000/4885HSP90AA1 3129/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 NPC1 2801/4885RAB9A 3000/4885HSP90AA1 3129/4885
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 NPC1 2801/4885RAB9A 3000/4885HSP90AA1 3129/4885

“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.