SCHEMBL20162633

SCHEMBL20162633

COc1ncc(-c2nc(N)c3cc[nH]c3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.46
MAPT P10636 1/20 0.43
TRPA1 O75762 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MTOR P42345 2/20 0.37
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
RPS6KA3 P51812 1/20 0.36
PIK3R1 P27986 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC1 Q13547 1/20 0.36
DHFR P00374 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL20162953 0.81 PIK3CA (0.41) PIK3CATRPA1MKNK1MKNK2TGFBR1
SCHEMBL20162940 0.80 MAPT (0.44) PIK3CAMAPTTRPA1MKNK1MKNK2
SCHEMBL20162787 0.74 BRD4 (0.36) PIK3CATRPA1MKNK1MKNK2TGFBR1
SCHEMBL21174856 0.73 MKNK1 (0.38) PIK3CATRPA1MKNK1MKNK2TGFBR1
SCHEMBL20162678 0.73 PDGFRB (0.45) PIK3CAMAPTMKNK2DHFR
SCHEMBL20162766 0.72 DHFR (0.37) PIK3CATGFBR1DHFR
SCHEMBL20162950 0.72 BTK (0.39) PIK3CAMAPTMTORPIK3R1DHFR
SCHEMBL1900222 0.69 CYP1A1 (0.53)
SCHEMBL14274543 0.69 ADORA1 (0.51) RPS6KA3
SCHEMBL30611601 0.68 TRPA1 (0.42) TRPA1TGFBR1TGFBR2RPS6KA3

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 524/4885MAPT 4878/4885TRPA1 98/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PIK3CA 524/4885MAPT 4878/4885TRPA1 98/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 PIK3CA 524/4885MAPT 4878/4885TRPA1 98/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 PIK3CA 547/4885MAPT 4877/4885TRPA1 135/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 PIK3CA 547/4885MAPT 4877/4885TRPA1 135/4885

“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.