SCHEMBL20162957

SCHEMBL20162957

CC(c1cc(-c2ccccc2F)no1)n1cc(I)c2c(Cl)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.35
CFTR P13569 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADK P55263 4/20 0.34
SRC P12931 1/20 0.31
EIF2AK3 Q9NZJ5 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SLC29A1 Q99808 1/20 0.31
NPC1 O15118 1/20 0.31
KDR P35968 1/20 0.30

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
SCHEMBL30538080 1.00 RET (0.35) RETCFTRSMN1; SMN2ADKSRC
SCHEMBL20162767 0.88 RET (0.45) RETCFTRSRCKDR
SCHEMBL30037388 0.88 RET (0.45) RETCFTRSRCKDR
SCHEMBL20182176 0.79 RET (0.46) RETCFTRSRCKDR
SCHEMBL20162651 0.79 KDR (0.46) RETSRCKDR
SCHEMBL30538106 0.79 KDR (0.46) RETSRCKDR
SCHEMBL20162649 0.79 KDR (0.46) RETSRCKDR
SCHEMBL30037546 0.79 KDR (0.46) RETSRCKDR
SCHEMBL20173323 0.78 RET (0.45) RETCFTRSRCKDR
SCHEMBL20162979 0.77 RET (0.33) RETADKSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (6 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 RET 916/4885CFTR 1/4885SMN1; SMN2 3587/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RET 916/4885CFTR 1/4885SMN1; SMN2 3587/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RET 916/4885CFTR 1/4885SMN1; SMN2 3587/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 RET 916/4885CFTR 1/4885SMN1; SMN2 3587/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 RET 962/4885CFTR 1/4885SMN1; SMN2 3646/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 RET 962/4885CFTR 1/4885SMN1; SMN2 3646/4885

“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.