SCHEMBL17815683

SCHEMBL17815683

COc1ccc(CNc2nc(NCCCc3cccc(F)c3)nc3[nH]cnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CCNE2 O96020 3/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
MAP2K4 P45985 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CLK4 Q9HAZ1 2/20 0.41
PLK4 O00444 1/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
CDK5 Q00535 2/20 0.40
ADORA2A P29274 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL17815578 0.89 MAPT (0.53) MAPTCCNE1CDK2CCNE2IP6K1
SCHEMBL17802550 0.86 MAPT (0.53) MAPTCCNE1CDK2CCNE2IP6K1
SCHEMBL17815693 0.84 MAPT (0.54) MAPTCCNE1CDK2CCNE2IP6K1
SCHEMBL17815679 0.82 MAPT (0.67) MAPTCCNE1CDK2CCNE2TDP1
SCHEMBL17815692 0.78 APP (0.44) CLK4CCNKCDK12CDK5ADORA2A
SCHEMBL17802595 0.74 MAPT (0.47) MAPTCCNE1CDK2CCNE2TDP1
SCHEMBL16146671 0.73 AURKA (0.54) CCNE1CDK2CCNE2CLK4PLK4
SCHEMBL3298944 0.73 AURKA (0.56) CCNE1CDK2CCNE2CLK4CDK5
SCHEMBL3108534 0.72 CCNE2 (0.61) MAPTCCNE1CDK2CCNE2TDP1
SCHEMBL8826162 0.72 APP (0.56) MAPTCCNE1CDK2CCNE2TDP1

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 4816/4885CCNE1 949/4885CDK2 2004/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MAPT 4816/4885CCNE1 949/4885CDK2 2004/4885

“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.