SCHEMBL21568136

SCHEMBL21568136

CCOC(=O)c1ccc2nc(NC(=O)Nc3cccc(C#N)c3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.62
▸ RAB9A P51151 10/20 0.62
▸ SMN1; SMN2 Q16637 10/20 0.62
▸ STAT1 P42224 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ TP53 P04637 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ MAPT P10636 6/20 0.56
▸ USP2 O75604 2/20 0.56
▸ ALPL P05186 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RIPK3 Q9Y572 1/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 2/20 0.53

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
SCHEMBL31637616 0.91 PIK3CA (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21568155 0.86 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL31637674 0.85 HSD17B10 (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21568324 0.84 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23256883 0.84 DYRK1A (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21568149 0.84 DYRK1A (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21568128 0.82 RAB9A (0.73) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21568954 0.81 DYRK1A (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4107154 0.81 TRPV1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL26034907 0.81 DYRK1A (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 — — US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 — — US disclosed
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2021-04-22 — — US disclosed
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — 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-11731985-B2 Compositions and methods for treating cancer VHL, TP53, NUDT1 NPC1 424/4885RAB9A 3882/4885SMN1; SMN2 3105/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 NPC1 749/4885RAB9A 4161/4885SMN1; SMN2 3703/4885

“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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