SCHEMBL20263183

SCHEMBL20263183

CCC(c1cn(-c2ccccc2)nn1)n1nc(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 13/20 1.00
PIK3CD O00329 5/20 0.41
SRC P12931 3/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
KDR P35968 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
CSNK1E P49674 1/20 0.40
PI4KB Q9UBF8 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
SCHEMBL20263159 0.90 CFTR (1.00) CFTRPIK3CD
SCHEMBL30280478 0.90 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263246 0.90 CFTR (1.00) CFTRPIK3CD
SCHEMBL30280460 0.90 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263160 0.90 CFTR (1.00) CFTRPIK3CD
SCHEMBL20263171 0.85 CFTR (0.84) CFTRPIK3CDSRCABL1EGFR
SCHEMBL30280506 0.85 CFTR (0.84) CFTRPIK3CDSRCABL1EGFR
SCHEMBL28981692 0.85 CFTR (0.74) CFTR
SCHEMBL20162652 0.85 CFTR (0.73) CFTRSRCABL1EGFRKDR
SCHEMBL20162654 0.85 CFTR (0.73) CFTRSRCABL1EGFRKDR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554506-B1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2021-04-28 EP disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS PFIZER INC. 2019-10-31 US disclosed
EP-3554506-A1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics, Inc. (US) 2019-10-23 EP disclosed
US-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2019-08-13 US disclosed
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-11-20 US disclosed
WO-2018112149-A1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATON THERAPEUTICS INC. (US) 2018-06-21 WO disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US 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 (8 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-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 CFTR 1/4885PIK3CD 653/4885SRC 2560/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 CFTR 1/4885PIK3CD 589/4885SRC 3243/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 CFTR 1/4885PIK3CD 653/4885SRC 2560/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 CFTR 1/4885PIK3CD 490/4885SRC 2852/4885
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, P2RY2, P2RX5 CFTR 1/4885PIK3CD 490/4885SRC 2852/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 CFTR 1/4885PIK3CD 490/4885SRC 2852/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 CFTR 1/4885PIK3CD 490/4885SRC 2852/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 CFTR 1/4885PIK3CD 653/4885SRC 2560/4885

“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.