SCHEMBL21187189

SCHEMBL21187189

Cc1c(C(C)(C)C)nnn1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.43
ALDH1A1 P00352 3/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
HTR2C P28335 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL20154211 0.83 ALDH1A1 (0.47) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL20173264 0.76 HTR2C (0.44) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL20419496 0.75 ALDH1A1 (0.47) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL20154173 0.75 ALDH1A1 (0.47) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL20154212 0.75 TDP1 (0.50) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL20173261 0.74 ALDH1A1 (0.46) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL20763818 0.74 TDP1 (0.49) ALDH1A1PKMHTTKMT2ACYP2C19
SCHEMBL2495018 0.72 GAA (0.55) P2RX4P2RX1P2RX3HTTKMT2A
SCHEMBL21350547 0.72 ALDH1A1 (0.44) P2RX4ALDH1A1P2RX1P2RX3HTR2C
SCHEMBL18031571 0.72 KCNMA1 (0.54) P2RX4ALDH1A1P2RX1P2RX3HTR2C

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 P2RX4 5/4885ALDH1A1 3071/4885P2RX1 2/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 P2RX4 5/4885ALDH1A1 3071/4885P2RX1 2/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 P2RX4 5/4885ALDH1A1 3071/4885P2RX1 2/4885

“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.