SCHEMBL20263307

SCHEMBL20263307

CC(=O)c1cnn(-c2ccc(F)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.44
ALKBH1 Q13686 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
SPR P35270 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL30529091 0.87 ALKBH1 (0.56) ACKR3ALKBH1NPC1RAB9AEGLN1
SCHEMBL4647029 0.87 ALKBH1 (0.56) ACKR3ALKBH1NPC1RAB9AEGLN1
SCHEMBL30037250 0.86 ACKR3 (0.50) ACKR3ALKBH1ALDH1A1NPC1RAB9A
SCHEMBL20162802 0.86 ACKR3 (0.50) ACKR3ALKBH1ALDH1A1NPC1RAB9A
SCHEMBL2561296 0.83 HPGDS (0.51) ALDH1A1EGLN1CYP1A2CYP3A4CYP2C9
SCHEMBL14947694 0.82 ALKBH2 (0.45) ALKBH1ALDH1A1NPC1RAB9AEGLN1
SCHEMBL25416054 0.81 ACKR3 (0.47) ACKR3ALKBH1ALDH1A1NPC1RAB9A
SCHEMBL182148 0.78 BCL2L1 (0.49) ACKR3ALKBH1NPC1RAB9AEGLN1
SCHEMBL10264757 0.76 TDO2 (0.44) ACKR3L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL16812745 0.75 EGLN1 (0.48) ALKBH1EGLN1

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 9 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
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

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 ACKR3 291/4885L3MBTL1 4679/4885ALKBH1 4654/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 ACKR3 210/4885L3MBTL1 4776/4885ALKBH1 4714/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 ACKR3 291/4885L3MBTL1 4679/4885ALKBH1 4654/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ACKR3 288/4885L3MBTL1 4753/4885ALKBH1 4681/4885
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, P2RY2, P2RX5 ACKR3 288/4885L3MBTL1 4753/4885ALKBH1 4681/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ACKR3 288/4885L3MBTL1 4753/4885ALKBH1 4681/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 ACKR3 288/4885L3MBTL1 4753/4885ALKBH1 4681/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 ACKR3 291/4885L3MBTL1 4679/4885ALKBH1 4654/4885

“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.