SCHEMBL20181865

SCHEMBL20181865

Cc1nnc(C(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP12 P39900 2/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
STAT1 P42224 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
MAPK1 P28482 1/20 0.50
MMP1 P03956 1/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL20175317 0.84 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL20173267 0.81 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL22272841 0.78 RAB9A (0.49) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20181862 0.78 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL15956900 0.77 SMN1; SMN2 (0.52) KMT2ATDP1RAB9ANPC1SMN1; SMN2
SCHEMBL17963189 0.77 ALDH1A1 (0.50) KMT2ASMN1; SMN2MAPTNPSR1POLB
SCHEMBL22005662 0.75 RAB9A (0.50) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL20181861 0.75 MMP2 (0.55) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL11301470 0.74 TDP1 (0.53) KMT2ATDP1SLC6A2SLC6A3MMP2
SCHEMBL15964606 0.74 MMP2 (0.49) KMT2ATDP1MMP2RAB9ANPC1

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 KMT2A 4318/4885TDP1 719/4885SLC6A2 4408/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 KMT2A 4318/4885TDP1 719/4885SLC6A2 4408/4885

“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.