SCHEMBL22235679

SCHEMBL22235679

O=C(Nc1c[nH]nc1C(=O)Nc1cccnc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
HIF1A Q16665 1/20 0.68
CLK2 P49760 1/20 0.61
CLK3 P49761 1/20 0.61
DYRK1A Q13627 1/20 0.61
PIM1 P11309 1/20 0.59
PIM3 Q86V86 1/20 0.59
PIM2 Q9P1W9 1/20 0.59
NAMPT P43490 3/20 0.58
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
KCNK3 O14649 1/20 0.53
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL22236220 0.88 LMNA (0.51) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL22235816 0.86 MAPT (0.53) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL22236014 0.85 CLK2 (0.52) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL19322853 0.85 HDAC1 (0.56) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL22236204 0.84 KCNK3 (0.51) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL1286751 0.83 LMNA (0.70) LMNADYRK1APIM1PIM3NAMPT
SCHEMBL1286749 0.83 CDK14 (0.53) LMNACYP11B1CYP11B2CYP3A4KMT2A
SCHEMBL22236109 0.82 SMN1; SMN2 (0.54) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL1571386 0.82 LMNA (1.00) LMNAHIF1ACLK2CLK3DYRK1A
SCHEMBL5265834 0.81 SIRT1 (0.53) KCNK3RAB9AKMT2AHDAC3HDAC1

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-20230000842-A1 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-01-05 US disclosed
WO-2020150552-A2 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK SAMUMED, LLC (US) 2020-07-23 WO disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 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-20230000842-A1 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK CLK2, CLK3, CLK1 LMNA 793/4885HIF1A 2378/4885CLK2 1/4885

“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.