SCHEMBL21568244

SCHEMBL21568244

Cc1ccc2nc(NC(=O)Nc3ccc(C#N)cc3Cl)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.58
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 8/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52
▸ RELA Q04206 2/20 0.52
▸ GSK3B P49841 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ ACP1 P24666 1/20 0.48
▸ CSNK1D P48730 1/20 0.48

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
SCHEMBL21568159 0.89 DYRK1A (0.58) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21568247 0.85 DYRK1A (0.55) DYRK1AKMT2AGSK3BMAPTACP1
SCHEMBL26034949 0.84 DYRK1A (0.61) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21858364 0.83 DYRK1A (0.62) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31206312 0.83 DYRK1A (0.62) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21568347 0.82 DYRK1A (0.58) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23256895 0.81 DYRK1A (0.68) DYRK1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL26034946 0.81 CXCR2 (0.56) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21568324 0.81 DYRK1A (0.58) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21568098 0.81 DYRK1A (0.46) DYRK1AALDH1A1KDM4EHPGDKMT2A

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
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 (1 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 4664/4885NPC1 424/4885RAB9A 3882/4885

“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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