SCHEMBL20263273

SCHEMBL20263273

[N-]=[N+]=Nc1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP14 P50281 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30280670 1.00 CA3 (0.38) CA3CA6CA5ACA9CA14
SCHEMBL14159424 0.83 ALDH1A1 (0.38) CA3CA6CA5ACA9CA14
SCHEMBL29408015 0.83 ALDH1A1 (0.38) CA3CA6CA5ACA9CA14
SCHEMBL31408842 0.79
SCHEMBL22914962 0.79 ESR1 (0.33) CA3CA6CA5ACA9CA14
SCHEMBL24169142 0.79 DGAT1 (0.32) KDM1AKDM1B
SCHEMBL13447958 0.79
SCHEMBL28455596 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL26915320 0.76 PDE2A (0.42) MEN1KMT2A
SCHEMBL15508955 0.75 PKM (0.32)

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 12 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-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
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 CA3 3835/4885CA6 4027/4885CA5A 820/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 CA3 3938/4885CA6 4552/4885CA5A 1535/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 CA3 3835/4885CA6 4027/4885CA5A 820/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 CA3 3995/4885CA6 4453/4885CA5A 1044/4885
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, P2RY2, P2RX5 CA3 3995/4885CA6 4453/4885CA5A 1044/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 CA3 3995/4885CA6 4453/4885CA5A 1044/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 CA3 3995/4885CA6 4453/4885CA5A 1044/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 CA3 3835/4885CA6 4027/4885CA5A 820/4885

“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.