SCHEMBL17815602

SCHEMBL17815602

COc1ccc(CNc2nc(Cl)nc3c2ncn3Cc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.64
CCNE1 P24864 3/20 0.64
CDK2 P24941 3/20 0.64
YTHDC1 Q96MU7 5/20 0.61
CTSL P07711 2/20 0.58
HDAC1 Q13547 6/20 0.54
HDAC3 O15379 5/20 0.54
HDAC4 P56524 5/20 0.54
HDAC7 Q8WUI4 5/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC11 Q96DB2 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC9 Q9UKV0 5/20 0.54
HDAC5 Q9UQL6 5/20 0.54
NCOR2 Q9Y618 4/20 0.54
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52

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
SCHEMBL27249486 0.90 CCNE2 (0.77) CCNE2CCNE1CDK2YTHDC1CTSL
SCHEMBL30747798 0.90 CCNE2 (0.77) CCNE2CCNE1CDK2YTHDC1CTSL
SCHEMBL17802589 0.88 CCNE2 (0.63) CCNE2CCNE1CDK2HDAC1CDK5
SCHEMBL17802614 0.86 CTSL (0.75) CCNE2CCNE1CDK2YTHDC1CTSL
SCHEMBL6944109 0.81 CCNE2 (0.76) CCNE2CCNE1CDK2YTHDC1CTSL
SCHEMBL24476533 0.79 HDAC1 (0.67) CCNE2CCNE1CDK2YTHDC1CTSL
SCHEMBL29183714 0.78 YTHDC1 (0.80) YTHDC1HDAC1HDAC3HDAC4HDAC7
SCHEMBL19714550 0.78 YTHDC1 (0.63) CDK2YTHDC1HDAC1HDAC3HDAC4
SCHEMBL17815598 0.78 YTHDC1 (0.63) CDK2YTHDC1HDAC1HDAC3HDAC4
SCHEMBL30747819 0.77 CTSL (0.62) CCNE2CCNE1CDK2CTSLCDK5

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 CCNE2 1508/4885CCNE1 949/4885CDK2 2004/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 CCNE2 1508/4885CCNE1 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.