SCHEMBL20162969

SCHEMBL20162969

Fc1ccc(-n2cc(CCl)cn2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
ACKR3 P25106 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
CYP17A1 P05093 2/20 0.33
CYP1A2 P05177 1/20 0.33
SCD O00767 2/20 0.33
ALKBH1 Q13686 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MPO P05164 1/20 0.32
TSHR P16473 1/20 0.32
SHMT2 P34897 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL30037300 1.00 P2RX7 (0.38) P2RX7ACKR3SIGMAR1DRD2DRD4
SCHEMBL28890862 0.86 TRPM5 (0.35) P2RX7SIGMAR1DRD2DRD4DRD3
SCHEMBL20162925 0.84 SCD (0.44) P2RX7ACKR3SIGMAR1DRD2DRD4
SCHEMBL30036352 0.84 SCD (0.44) P2RX7ACKR3SIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL21492683 0.83 GABRA1 (0.39) P2RX7ACKR3SIGMAR1DRD2DRD4
SCHEMBL30037628 0.81 DRD2 (0.49) P2RX7DRD2DRD4DRD3CFTR
SCHEMBL20162771 0.81 DRD2 (0.49) P2RX7DRD2DRD4DRD3CFTR
SCHEMBL2412319 0.77 DRD4 (0.52) DRD2DRD4DRD3LMNAMAPT
SCHEMBL10264757 0.76 TDO2 (0.44) ACKR3SIGMAR1CYP17A1CYP1A2SCD
SCHEMBL4565600 0.76 ACKR3 (0.40) ACKR3SIGMAR1CYP17A1CYP1A2ALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
CN-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed
CN-110337294-B Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2022-11-01 CN disclosed
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 US disclosed
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS PFIZER INC. 2020-01-16 US disclosed
CN-110337294-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会治疗公司 2019-10-15 CN disclosed
EP-3541390-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics Inc. (US) 2019-09-25 EP disclosed
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION 2019-07-25 US disclosed
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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 (7 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-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 P2RX7 9/4885ACKR3 492/4885SIGMAR1 2267/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 P2RX7 9/4885ACKR3 492/4885SIGMAR1 2267/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 P2RX7 9/4885ACKR3 492/4885SIGMAR1 2267/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 P2RX7 9/4885ACKR3 492/4885SIGMAR1 2267/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 P2RX7 21/4885ACKR3 361/4885SIGMAR1 1219/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 P2RX7 11/4885ACKR3 476/4885SIGMAR1 2323/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 P2RX7 11/4885ACKR3 476/4885SIGMAR1 2323/4885

“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.