SCHEMBL20181861

SCHEMBL20181861

Cc1ncc(C(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.55
▸ MMP12 P39900 4/20 0.55
▸ MMP9 P14780 3/20 0.55
▸ MMP1 P03956 2/20 0.55
▸ KMT2A Q03164 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL21442370 0.83 MMP2 (0.58) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL20173265 0.82 MMP2 (0.51) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL23682799 0.80 MMP2 (0.49) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL23682708 0.80 MMP2 (0.49) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL8818379 0.79 ALDH1A1 (0.47) KMT2ARAB9ANPC1MAPTATM
SCHEMBL27391742 0.77 MMP2 (0.63) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL20181862 0.77 KMT2A (0.50) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL20055446 0.76 ALDH1A1 (0.44) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL9940103 0.76 MMP2 (0.48) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL19207667 0.75 MMP2 (0.59) MMP2KMT2ATDP1RAB9ANPC1

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 4 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-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
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 — — WO 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 (2 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 MMP2 3842/4885MMP12 2938/4885MMP9 3677/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 MMP2 3842/4885MMP12 2938/4885MMP9 3677/4885

“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.

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