SCHEMBL21568196

SCHEMBL21568196

N#Cc1ccc(F)c(NC(=O)Nc2nc3ccc(Cl)nc3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 14/20 0.47
▸ DYRK1A Q13627 1/20 0.45
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ KDR P35968 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
SCHEMBL23256879 0.89 P2RY1 (0.50) P2RY1DYRK1AKMT2AGSK3B
SCHEMBL21568207 0.88 DYRK1A (0.47) P2RY1DYRK1ANPC1RAB9AMEN1
SCHEMBL21568098 0.87 DYRK1A (0.46) P2RY1DYRK1AKMT2AGSK3B
SCHEMBL21568277 0.86 DYRK1A (0.44) P2RY1DYRK1AMEN1KMT2AGSK3B
SCHEMBL23256633 0.85 P2RY1 (0.45) P2RY1NPC1RAB9AMEN1KMT2A
SCHEMBL23256634 0.85 P2RY1 (0.42) P2RY1DYRK1AGSK3B
SCHEMBL21568065 0.84 DYRK1A (0.57) P2RY1DYRK1ANPC1RAB9AMEN1
SCHEMBL21568286 0.83 P2RY1 (0.45) P2RY1NPC1RAB9AMEN1KMT2A
SCHEMBL23256876 0.82 MAPT (0.53) P2RY1DYRK1ANPC1RAB9AMEN1
SCHEMBL23256878 0.81 CXCR2 (0.41) P2RY1DYRK1ANPC1RAB9AMEN1

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 P2RY1 1428/4885DYRK1A 4664/4885NPC1 424/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 P2RY1 1312/4885DYRK1A 4618/4885NPC1 749/4885

“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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