SCHEMBL17815583

SCHEMBL17815583

NC(=O)c1ccc(Sc2ncnc(Cl)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 4/20 0.38
MKNK2 Q9HBH9 4/20 0.38
MAP4K4 O95819 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NNMT P40261 1/20 0.37
CHEK2 O96017 2/20 0.36
STK17B O94768 1/20 0.35
MAP3K8 P41279 1/20 0.35
STK17A Q9UEE5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34

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
SCHEMBL5246815 0.72 LMNA (0.58) LMNAHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6234362 0.71 MAPT (0.47) KDM4EALDH1A1HPGDMAPT
SCHEMBL17802571 0.71 PARP10 (0.51) MAP4K4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17802606 0.71 MKNK1 (0.54) MKNK1MAP4K4MAPTKMT2A
SCHEMBL6631157 0.70 CHEK2 (0.54) LMNAMAP4K4CHEK2KDM4EALDH1A1
SCHEMBL5247221 0.69 NR1H2 (0.50) LMNAHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL17815795 0.69 MAP4K4 (0.36) MKNK1MKNK2MAP4K4SMN1; SMN2NNMT
SCHEMBL3079327 0.68 TSHR (0.61) LMNAHTTMKNK1MKNK2SMN1; SMN2
SCHEMBL17815800 0.68 AURKA (0.56)
SCHEMBL4394095 0.67 CHEK2 (0.45) MKNK1MKNK2MAP4K4CHEK2GSTP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 LMNA 2920/4885HTT 4628/4885MKNK1 4044/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 LMNA 2920/4885HTT 4628/4885MKNK1 4044/4885

“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.