SCHEMBL20162787

SCHEMBL20162787

COc1nccnc1-c1nc(N)c2cc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
TTBK1 Q5TCY1 2/20 0.34
TTBK2 Q6IQ55 2/20 0.34
DYRK1A Q13627 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
TRPA1 O75762 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TTK P33981 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 1/20 0.31

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
SCHEMBL20162950 0.82 BTK (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH4
SCHEMBL21174856 0.75 MKNK1 (0.38) BRD4MKNK1MKNK2TTBK1TTBK2
SCHEMBL20162633 0.74 PIK3CA (0.46) BRD4MKNK1MKNK2PIK3CATRPA1
SCHEMBL20162953 0.74 PIK3CA (0.41) BRD4MKNK1MKNK2PIK3CATRPA1
SCHEMBL16497095 0.73 NUDT1 (0.43) TTBK1TTBK2DYRK1APIK3CDPIK3CA
SCHEMBL7958023 0.68 HRH4 (0.45) MKNK1MKNK2TTBK1TTBK2DYRK1A
SCHEMBL1900222 0.68 CYP1A1 (0.53) TTBK1TTBK2DYRK1AADORA2AADORA1
SCHEMBL14274543 0.67 ADORA1 (0.51) DYRK1AADORA2AADORA1IKBKBCHUK
SCHEMBL19250000 0.67 PIK3CA (0.36) MKNK1MKNK2DYRK1APIK3CDPIK3CA
SCHEMBL18055932 0.66 DYRK1A (0.46) DYRK1APIK3CAADORA2AADORA1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US 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-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 BRD4 2832/4885MKNK1 4472/4885MKNK2 4629/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 BRD4 2832/4885MKNK1 4472/4885MKNK2 4629/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 BRD4 2832/4885MKNK1 4472/4885MKNK2 4629/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 BRD4 3688/4885MKNK1 4114/4885MKNK2 4477/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 BRD4 2603/4885MKNK1 4474/4885MKNK2 4654/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 BRD4 2603/4885MKNK1 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.