SCHEMBL17815604

SCHEMBL17815604

COc1ccc(-n2cnc3c(O)nc(N)nc32)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.41
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
GAK O14976 1/20 0.40
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
SRC P12931 2/20 0.40
ESR2 Q92731 1/20 0.39
KATNA1 O75449 1/20 0.39
DHFR P00374 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CFTR P13569 1/20 0.37
FGFR1 P11362 1/20 0.36

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
SCHEMBL17802560 0.77 FGFR1 (0.52) XDHHSP90AA1HSP90AB1PI4KAPI4K2B
SCHEMBL17815606 0.76 ADORA2A (0.58) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL11862452 0.75 PI4KB (0.69) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL17802576 0.75 CFTR (0.63) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL17802562 0.74 CFTR (0.51) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL17802586 0.72 YTHDC1 (0.56) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL11829935 0.70 PI4KA (0.48) HSP90AA1HSP90AB1GAKPI4KAPI4K2B
SCHEMBL28861601 0.69 PI4KA (0.68) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL27870409 0.69 PI4KA (0.70) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL17802591 0.69 CFTR (0.58) XDHHSP90AA1HSP90AB1PI4KAPI4K2B

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 XDH 635/4885HSP90AA1 4030/4885HSP90AB1 3441/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 XDH 635/4885HSP90AA1 4030/4885HSP90AB1 3441/4885

“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.