SCHEMBL20162866

SCHEMBL20162866

Nc1nc(-c2cccc3ccncc23)nc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
PIK3CD O00329 2/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
TGFBR1 P36897 9/20 0.38
TGFBR2 P37173 6/20 0.38
PRKCI P41743 1/20 0.38
NUDT1 P36639 2/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 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
SCHEMBL16497095 0.72 NUDT1 (0.43) PIK3CDPIK3CBPIK3CGTGFBR1TGFBR2
SCHEMBL16897104 0.71 LATS1 (0.61) PRKCINUDT1LATS1LATS2DYRK1A
SCHEMBL20162950 0.70 BTK (0.39) PIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL14274543 0.69 ADORA1 (0.51) CYP1A2DYRK1A
SCHEMBL29495912 0.67 TNF (0.54) TNFIKBKETBK1LMNACYP1A2
SCHEMBL22969153 0.67 TNF (0.54) TNFIKBKETBK1LMNACYP1A2
SCHEMBL21174856 0.67 MKNK1 (0.38) PIK3CDPIK3CBPIK3CGTGFBR1TGFBR2
SCHEMBL10124916 0.67 IKBKB (0.56) PRKCINUDT1CYP1A2LATS1LATS2
Hydrochloric Acid SCHEMBL29698800 0.66 TNF (0.53) TNFIKBKETBK1LMNACYP1A2
SCHEMBL20162678 0.66 PDGFRB (0.45) PIK3CDCYP1A2DYRK1A

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 TNF 1425/4885PIK3CD 1554/4885PIK3CB 1500/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TNF 1425/4885PIK3CD 1554/4885PIK3CB 1500/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 TNF 1425/4885PIK3CD 1554/4885PIK3CB 1500/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 TNF 2086/4885PIK3CD 710/4885PIK3CB 1539/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 TNF 1364/4885PIK3CD 1532/4885PIK3CB 1526/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TNF 1364/4885PIK3CD 1532/4885PIK3CB 1526/4885

“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.