SCHEMBL20162845

SCHEMBL20162845

CCc1nc(N)c2c(-c3cnc[nH]3)c[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.38
ASIC3 Q9UHC3 2/20 0.36
JAK3 P52333 1/20 0.34
HSP90AB1 P08238 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL20162801 0.76 JAK3 (0.36) JAK3HSP90AB1
SCHEMBL20162989 0.76 PDPK1 (0.44) HSP90AB1
SCHEMBL20162844 0.73 NAMPT (0.34) ASIC3HSP90AB1HSP90AA1
SCHEMBL21174861 0.73 CCNT1 (0.36) HSP90AB1
SCHEMBL30038241 0.72 CHEK1 (0.38) HSP90AB1
SCHEMBL21174860 0.71 HSP90AB1 (0.38) HSP90AB1CYP1A2CYP2D6
SCHEMBL21174862 0.63 CCNT1 (0.36)
SCHEMBL5066802 0.62 ADORA1 (0.37) PKM
SCHEMBL20162868 0.61 DYRK1A (0.46)
SCHEMBL20184398 0.59 JAK2 (0.51) JAK3HSP90AB1

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-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-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
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 IDO1 3830/4885ASIC3 2052/4885JAK3 2615/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 IDO1 3830/4885ASIC3 2052/4885JAK3 2615/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 IDO1 3830/4885ASIC3 2052/4885JAK3 2615/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 IDO1 3830/4885ASIC3 2052/4885JAK3 2615/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 IDO1 3655/4885ASIC3 2130/4885JAK3 2586/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 IDO1 3655/4885ASIC3 2130/4885JAK3 2586/4885

“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.