SCHEMBL20263231

SCHEMBL20263231

C#CC(CC)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.42
SRC P12931 5/20 0.42
KDR P35968 5/20 0.42
DYRK3 O43781 2/20 0.42
CDK1 P06493 2/20 0.42
ROS1 P08922 2/20 0.42
RPS6KB1 P23443 2/20 0.42
CDK2 P24941 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CLK2 P49760 2/20 0.42
IRAK1 P51617 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1A Q13627 2/20 0.42
NTRK3 Q16288 2/20 0.42
SLK Q9H2G2 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL4572206 0.82 SRC (0.47) RETSRCKDRDYRK3CDK1
SCHEMBL4572199 0.81 SRC (0.54) RETSRCKDRDYRK3CDK1
SCHEMBL4572197 0.81 SRC (0.54) RETSRCKDRDYRK3CDK1
SCHEMBL4572200 0.81 SRC (0.54) RETSRCKDRDYRK3CDK1
SCHEMBL4572203 0.78 SRC (0.44) RETSRCKDRDYRK3CDK1
SCHEMBL868687 0.77 ABL1 (0.58) RETSRCKDRABL1EGFR
SCHEMBL20162958 0.76 MAP4K4 (0.44) RETSRCKDRDYRK3RPS6KB1
SCHEMBL30104023 0.73 SRC (0.48) RETSRCKDRDYRK3CDK1
SCHEMBL3832435 0.73 ADK (0.49) RETSRCKDRDYRK3CDK1
SCHEMBL27604421 0.73 RET (0.40) RETSRCKDRDYRK3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300589-B Bicyclic heteroaryl derivatives as CFTR potentiators 囊性纤维化基金会 2023-03-10 CN disclosed
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-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
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-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-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-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-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
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
WO-2018112149-A1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATON THERAPEUTICS INC. (US) 2018-06-21 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 (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 RET 990/4885SRC 2560/4885KDR 3071/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 RET 1625/4885SRC 3243/4885KDR 3567/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 RET 990/4885SRC 2560/4885KDR 3071/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 RET 835/4885SRC 2852/4885KDR 2700/4885
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, P2RY2, P2RX5 RET 835/4885SRC 2852/4885KDR 2700/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 RET 835/4885SRC 2852/4885KDR 2700/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 RET 835/4885SRC 2852/4885KDR 2700/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 RET 990/4885SRC 2560/4885KDR 3071/4885

“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.