SCHEMBL17815684

SCHEMBL17815684

C[C@H](Nc1nc(Cl)nc2c1ncn2-c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CDK1 P06493 1/20 0.40
CFTR P13569 1/20 0.40
NT5E P21589 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL19714524 1.00 YTHDC1 (0.51) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17802577 0.89 YTHDC1 (0.45) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL19714683 0.89 CFTR (0.56) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17802573 0.89 CFTR (0.56) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17802575 0.89 YTHDC1 (0.45) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL19714621 0.86 YTHDC1 (0.57) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17815588 0.86 YTHDC1 (0.57) YTHDC1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17815676 0.80 CFTR (0.53) CYP2D6CYP2C9TSHRCYP2C19CDK5
SCHEMBL19714546 0.80 CFTR (0.53) CYP2D6CYP2C9TSHRCYP2C19CDK5
SCHEMBL17815586 0.76 YTHDC1 (0.55) YTHDC1CCNA2CDK2

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 YTHDC1 3944/4885CYP2D6 106/4885CYP2C9 101/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 YTHDC1 3944/4885CYP2D6 106/4885CYP2C9 101/4885

“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.