SCHEMBL20162953

SCHEMBL20162953

COc1ncc(F)cc1-c1nc(N)c2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
TGFBR1 P36897 7/20 0.39
TGFBR2 P37173 5/20 0.39
CSNK1D P48730 1/20 0.39
TRPA1 O75762 2/20 0.37
SCN9A Q15858 2/20 0.37
BRD4 O60885 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
PIK3R1 P27986 1/20 0.34
NTRK1 P04629 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL20162633 0.81 PIK3CA (0.46) PIK3CAMKNK1MKNK2TGFBR1TGFBR2
SCHEMBL21174856 0.81 MKNK1 (0.38) PIK3CAMKNK1MKNK2TGFBR1TGFBR2
SCHEMBL20163004 0.80 ALOX5AP (0.41) PIK3CAMKNK1MKNK2TGFBR1TGFBR2
SCHEMBL20162950 0.79 BTK (0.39) PIK3CAPIK3R1
SCHEMBL20162787 0.74 BRD4 (0.36) PIK3CAMKNK1MKNK2TGFBR1TGFBR2
SCHEMBL19249457 0.72 CSNK1D (0.37) MKNK1MKNK2TGFBR1TGFBR2CSNK1D
SCHEMBL28582907 0.67 CDK2 (0.40) SCN9A
SCHEMBL30827972 0.67 CDK2 (0.40) SCN9A
SCHEMBL20162766 0.67 DHFR (0.37) PIK3CATGFBR1KDR
SCHEMBL30538088 0.67 LRRK2 (0.47) TRPA1

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 5 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-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 (5 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 PIK3CA 524/4885MKNK1 4472/4885MKNK2 4629/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PIK3CA 524/4885MKNK1 4472/4885MKNK2 4629/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 PIK3CA 524/4885MKNK1 4472/4885MKNK2 4629/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 PIK3CA 547/4885MKNK1 4474/4885MKNK2 4654/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PIK3CA 547/4885MKNK1 4474/4885MKNK2 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.