SCHEMBL20173265

SCHEMBL20173265

CC(C)(C)c1ncc(C(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP12 P39900 4/20 0.51
MMP9 P14780 3/20 0.51
MMP1 P03956 3/20 0.51
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL20181861 0.82 MMP2 (0.55) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL23682708 0.82 MMP2 (0.49) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL21442370 0.80 MMP2 (0.58) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL20173267 0.77 TDP1 (0.47) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL23682799 0.76 MMP2 (0.49) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL20173262 0.76 KMT2A (0.46) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL19879687 0.73 TDP1 (0.50) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL2083148 0.73 HPGD (0.51) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL9940103 0.73 MMP2 (0.48) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL15875652 0.73 L3MBTL1 (0.38) KMT2ALMNAALDH1A1RAB9AL3MBTL1

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-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
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-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MMP2 3842/4885MMP12 2938/4885MMP9 3677/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MMP2 3842/4885MMP12 2938/4885MMP9 3677/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MMP2 3842/4885MMP12 2938/4885MMP9 3677/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 MMP2 3750/4885MMP12 2792/4885MMP9 3668/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MMP2 3750/4885MMP12 2792/4885MMP9 3668/4885

“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.