SCHEMBL13615283

SCHEMBL13615283

CCOC(=O)c1nnc(CC2CCN(C(=O)OC(C)(C)C)C2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
NR1D1 P20393 3/20 0.40
ALOX15 P16050 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38

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
SCHEMBL4342898 0.95 ACKR3 (0.42) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL12948514 0.95 ALDH1A1 (0.46) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL981337 0.90 CHEK1 (0.44) NR1D1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4355506 0.89 ACKR3 (0.40) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL981586 0.85 CHEK1 (0.45) NR1D1CNR1CNR2ACKR3FNTA
SCHEMBL1496132 0.85 ACKR3 (0.44) TP53POLBACKR3FNTAFNTB
SCHEMBL982318 0.85 CHEK1 (0.46) MEN1KMT2ASMN1; SMN2NPSR1CACNB4
SCHEMBL12922038 0.83 CHEK1 (0.43) GAANPSR1MAPT
SCHEMBL12922016 0.82 CHEK1 (0.42) GAANPSR1MAPT
SCHEMBL2775244 0.82 CNR1 (0.44) MEN1KMT2ASMN1; SMN2NPSR1NR1D1

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-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 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 (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-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 ALDH1A1 3639/4885MEN1 2154/4885LMNA 2720/4885

“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.