SCHEMBL21568127

SCHEMBL21568127

CC(C)(C)c1ccc(NC(=O)Nc2nc3ccc(C#N)cc3s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.72
▸ CSNK1G2 P78368 1/20 0.72
▸ DYRK1A Q13627 6/20 0.64
▸ GSK3B P49841 1/20 0.55
▸ MAP3K5 Q99683 1/20 0.54
▸ DYRK1B Q9Y463 2/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ RECQL P46063 1/20 0.50

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
SCHEMBL23256895 0.88 DYRK1A (0.68) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B
SCHEMBL21568123 0.85 DYRK1A (0.65) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B
SCHEMBL23256870 0.85 DYRK1A (0.70) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B
SCHEMBL21568248 0.85 CSNK1D (0.70) CSNK1DCSNK1G2DYRK1ADYRK1BKMT2A
SCHEMBL23256894 0.85 DYRK1A (0.64) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B
SCHEMBL21568130 0.83 DYRK1A (0.65) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B
SCHEMBL26034949 0.83 DYRK1A (0.61) DYRK1AGSK3BMAP3K5DYRK1BKMT2A
SCHEMBL23256883 0.82 DYRK1A (0.66) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B
SCHEMBL23256871 0.81 SMN1; SMN2 (0.66) DYRK1AGSK3BDYRK1BKMT2AMEN1
SCHEMBL21568073 0.81 DYRK1A (0.62) CSNK1DCSNK1G2DYRK1AGSK3BDYRK1B

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 3 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-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 3599/4885CSNK1G2 1984/4885DYRK1A 4664/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 CSNK1D 3509/4885CSNK1G2 1915/4885DYRK1A 4618/4885

“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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