SCHEMBL20175828

SCHEMBL20175828

CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
PIK3CD O00329 5/20 0.47
PIK3CA P42336 5/20 0.47
PIK3CB P42338 5/20 0.47
PIK3CG P48736 5/20 0.47
PRKDC P78527 5/20 0.47
SRC P12931 5/20 0.47
ABL1 P00519 4/20 0.47
EGFR P00533 4/20 0.47
HCK P08631 4/20 0.47
MTOR P42345 4/20 0.47
EPHB4 P54760 4/20 0.47
TRPA1 O75762 8/20 0.47
RET P07949 3/20 0.43
LCK P06239 2/20 0.40
TEK Q02763 2/20 0.40
CDC7 O00311 1/20 0.40
TGFBR1 P36897 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL30037531 0.86 PIK3CD (0.43) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162933 0.86 PIK3CD (0.43) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20175829 0.85 KDR (0.43) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23481446 0.83 PIK3CD (0.40) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20175296 0.82 SRC (0.47) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20175297 0.82 KDR (0.42) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20173308 0.81 KDR (0.42) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162746 0.81 KDR (0.44) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30037110 0.81 KDR (0.44) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20175825 0.81 NSD2 (0.38) KDRPIK3CDPIK3CAPIK3CBPIK3CG

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-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-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 (4 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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KDR 3352/4885PIK3CD 1554/4885PIK3CA 524/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KDR 3352/4885PIK3CD 1554/4885PIK3CA 524/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 KDR 3293/4885PIK3CD 1532/4885PIK3CA 547/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 KDR 3293/4885PIK3CD 1532/4885PIK3CA 547/4885

“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.