SCHEMBL17815693

SCHEMBL17815693

COc1ccc(CNc2nc(NCCc3ccc(F)cc3)nc3[nH]cnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
IP6K1 Q92551 2/20 0.52
GRK6 P43250 1/20 0.48
CCNE2 O96020 3/20 0.48
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 3/20 0.45
MAP2K4 P45985 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44

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
SCHEMBL17815679 0.88 MAPT (0.67) MAPTCCNE2CCNE1CDK2TDP1
SCHEMBL17815578 0.85 MAPT (0.53) MAPTIP6K1CCNE2CCNE1CDK2
SCHEMBL17802550 0.84 MAPT (0.53) MAPTIP6K1CCNE2CCNE1CDK2
SCHEMBL17815683 0.84 MAPT (0.48) MAPTIP6K1CCNE2CCNE1CDK2
SCHEMBL8826162 0.77 APP (0.56) MAPTCCNE2CCNE1CDK2TDP1
SCHEMBL3108534 0.77 CCNE2 (0.61) MAPTCCNE2CCNE1CDK2TDP1
SCHEMBL17802610 0.76 MAPT (0.47) MAPTCCNE2CCNE1CDK2TDP1
SCHEMBL17815610 0.76 IP6K1 (0.48) IP6K1CNR2
SCHEMBL723440 0.75 CDK1 (0.59) MAPT
SCHEMBL16146205 0.75 PRMT1 (0.41) MAPTMAP2K4

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 4816/4885IP6K1 2909/4885GRK6 4348/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MAPT 4816/4885IP6K1 2909/4885GRK6 4348/4885

“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.