SCHEMBL17815679

SCHEMBL17815679

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3nc[nH]c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
TDP1 Q9NUW8 2/20 0.56
CCNE1 P24864 5/20 0.52
CDK2 P24941 5/20 0.52
CCNE2 O96020 4/20 0.52
CDK1 P06493 2/20 0.49
CCNB2 O95067 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CDK5 Q00535 1/20 0.48
PLK4 O00444 1/20 0.48
PRUNE1 Q86TP1 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
SCHEMBL17815693 0.88 MAPT (0.54) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL3108534 0.87 CCNE2 (0.61) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL8826162 0.87 APP (0.56) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL17815578 0.87 MAPT (0.53) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL17802550 0.86 MAPT (0.53) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL723440 0.85 CDK1 (0.59) MAPTCDK1CCNB2CCNB1CCNB3
SCHEMBL17815683 0.82 MAPT (0.48) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL17802610 0.80 MAPT (0.47) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL2059315 0.79 MAPT (0.54) MAPTTDP1CCNE1CDK2CCNE2
SCHEMBL17802595 0.79 MAPT (0.47) MAPTTDP1CCNE1CDK2CCNE2

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 MAPT 4816/4885TDP1 4086/4885CCNE1 949/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MAPT 4816/4885TDP1 4086/4885CCNE1 949/4885

“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.