SCHEMBL17815577

SCHEMBL17815577

Nc1nc(NCCCc2ccccc2)nc2[nH]cnc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.55
ADORA2A P29274 8/20 0.55
TMIGD3 P0DMS9 5/20 0.55
HPGD P15428 1/20 0.51
ADORA2B P29275 7/20 0.51
ADORA3 P0DMS8 3/20 0.50
CFTR P13569 1/20 0.49
APP P05067 1/20 0.48
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADK P55263 1/20 0.43

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
SCHEMBL17802601 0.96 ADORA1 (0.51) ADORA1ADORA2ATMIGD3HPGDADORA2B
SCHEMBL9792866 0.92 APP (0.57) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL17815692 0.86 APP (0.44) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL13729103 0.85 APP (0.54) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL15185178 0.81 CDK1 (0.39) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL1146235 0.80 ADORA2A (0.44) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL17815610 0.80 IP6K1 (0.48) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL24207973 0.79 KCNH3 (0.41) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL17802592 0.78 ADORA2A (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL16146635 0.77 XDH (0.42) ADORA1ADORA2ATMIGD3ADORA2BADORA3

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 4 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-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 ADORA1 843/4885ADORA2A 2194/4885TMIGD3 4391/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 ADORA1 843/4885ADORA2A 2194/4885TMIGD3 4391/4885

“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.