SCHEMBL20175296

SCHEMBL20175296

CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.47
KDR P35968 6/20 0.47
ABL1 P00519 6/20 0.47
MTOR P42345 5/20 0.47
PIK3CD O00329 4/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
PRKDC P78527 4/20 0.47
HCK P08631 4/20 0.47
EGFR P00533 3/20 0.47
EPHB4 P54760 3/20 0.47
ATR Q13535 5/20 0.42
RET P07949 6/20 0.42
FYN P06241 4/20 0.41
YES1 P07947 3/20 0.41
LCK P06239 4/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL20175297 0.84 KDR (0.42) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL27208128 0.83 KDR (0.40) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL30037531 0.83 PIK3CD (0.43) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL20162933 0.83 PIK3CD (0.43) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL20175828 0.82 KDR (0.47) SRCKDRABL1MTORPIK3CD
SCHEMBL20175829 0.82 KDR (0.43) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL20173308 0.81 KDR (0.42) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL20182216 0.80 KDR (0.40) SRCKDRABL1MTORPIK3CD
SCHEMBL20175447 0.80 KDR (0.40) SRCKDRABL1PIK3CDPIK3CA
SCHEMBL30892139 0.80 KDR (0.40) SRCKDRABL1PIK3CDPIK3CA

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
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
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 (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 SRC 3551/4885KDR 3352/4885ABL1 3977/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SRC 3551/4885KDR 3352/4885ABL1 3977/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SRC 3551/4885KDR 3352/4885ABL1 3977/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 SRC 3551/4885KDR 3352/4885ABL1 3977/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 SRC 3742/4885KDR 3293/4885ABL1 4124/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 SRC 3742/4885KDR 3293/4885ABL1 4124/4885

“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.