SCHEMBL23256894

SCHEMBL23256894

CCc1ccc(NC(=O)Nc2nc3ccc(C#N)cc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.64
▸ GSK3B P49841 1/20 0.63
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CSNK1D P48730 2/20 0.51
▸ DYRK1B Q9Y463 2/20 0.51
▸ CSNK1G2 P78368 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HDAC6 Q9UBN7 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) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL21568123 0.85 DYRK1A (0.65) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL23256870 0.85 DYRK1A (0.70) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL21568127 0.85 CSNK1D (0.72) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL21568130 0.83 DYRK1A (0.65) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL26034949 0.83 DYRK1A (0.61) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL6068126 0.83 DYRK1A (0.71) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL23256883 0.82 DYRK1A (0.66) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL21568073 0.81 DYRK1A (0.62) DYRK1AGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL23256871 0.81 SMN1; SMN2 (0.66) DYRK1AGSK3BSMN1; SMN2KMT2AMAPT

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 2 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

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 DYRK1A 4664/4885GSK3B 4096/4885NPC1 424/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885GSK3B 4200/4885NPC1 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.

Send feedback