SCHEMBL17815606

SCHEMBL17815606

Nc1nc(O)c2ncn(-c3ccccc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.58
XDH P47989 2/20 0.54
EGFR P00533 1/20 0.53
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
FGFR1 P11362 6/20 0.45
SRC P12931 3/20 0.45
HTT P42858 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CFTR P13569 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
SCHEMBL17802562 0.85 CFTR (0.51) ADORA2AXDHEGFRPI4KAPI4K2B
SCHEMBL9383018 0.84 XDH (0.49) ADORA2AXDHEGFRPI4KAPI4K2B
SCHEMBL27886637 0.84 PI4KA (0.64) ADORA2AXDHEGFRPI4KAPI4K2B
SCHEMBL17802586 0.83 YTHDC1 (0.56) ADORA2AXDHPI4KAPI4K2BPI4K2A
SCHEMBL17802576 0.81 CFTR (0.63) ADORA2AXDHPI4KAPI4K2BPI4K2A
SCHEMBL28298222 0.81 ADORA2A (0.58) ADORA2AXDHEGFRPI4KAPI4K2B
SCHEMBL17802560 0.77 FGFR1 (0.52) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL18998147 0.76 TDP1 (0.45) ADORA2AXDHEGFRPI4KAPI4K2B
SCHEMBL17815604 0.76 XDH (0.41) XDHPI4KAPI4K2BPI4K2API4KB
Phenol SCHEMBL28142595 0.75 FGFR1 (0.49) ADORA2AEGFRPI4KAPI4K2BPI4K2A

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 ADORA2A 2194/4885XDH 635/4885EGFR 1817/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 ADORA2A 2194/4885XDH 635/4885EGFR 1817/4885

“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.