SCHEMBL21568178

SCHEMBL21568178

N#Cc1ccc(NC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1C#N

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 10/20 0.65
▸ DYRK1A Q13627 2/20 0.58
▸ ACP1 P24666 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ KDR P35968 2/20 0.49
▸ TEK Q02763 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.48
▸ BRAF P15056 1/20 0.47

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
SCHEMBL23256576 0.92 CSNK1D (0.63) CSNK1DDYRK1AACP1HSD17B10CYP2D6
SCHEMBL23256577 0.92 CSNK1D (0.63) CSNK1DDYRK1AACP1HSD17B10CYP2D6
SCHEMBL23256575 0.92 CSNK1D (0.63) CSNK1DDYRK1AACP1HSD17B10CYP2D6
SCHEMBL21568184 0.91 CSNK1D (0.62) CSNK1DDYRK1AACP1HSD17B10CYP2D6
SCHEMBL21568183 0.91 CSNK1D (0.62) CSNK1DDYRK1AACP1HSD17B10
SCHEMBL23256629 0.91 CSNK1D (0.62) CSNK1DDYRK1AACP1HSD17B10
SCHEMBL21568248 0.87 CSNK1D (0.70) CSNK1DDYRK1AACP1HSD17B10CYP2D6
SCHEMBL21568266 0.86 NPC1 (0.56) DYRK1AHSD17B10DYRK1B
SCHEMBL21568188 0.85 DYRK1A (0.61) CSNK1DDYRK1AACP1HSD17B10KDR
SCHEMBL23256548 0.84 CSNK1D (0.61) CSNK1DDYRK1AACP1HSD17B10CYP2D6

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 CSNK1D 3599/4885DYRK1A 4664/4885ACP1 2554/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 CSNK1D 3509/4885DYRK1A 4618/4885ACP1 3161/4885

“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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