SCHEMBL20175317

SCHEMBL20175317

CC(C)c1nnc(C(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
MMP1 P03956 1/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 5/20 0.44
ATM Q13315 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
STAT1 P42224 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 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
SCHEMBL20181865 0.84 KMT2A (0.51) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL23223414 0.82 ALDH1A1 (0.46) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL20173267 0.78 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL7166186 0.77 AAK1 (0.56) ATM
SCHEMBL21187205 0.77 KMT2A (0.46) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL22272841 0.72 RAB9A (0.49) KMT2AALDH1A1LMNARAB9AATM
SCHEMBL21538964 0.72 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL20181862 0.71 KMT2A (0.50) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL11301470 0.71 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL15956900 0.71 SMN1; SMN2 (0.52) TDP1KMT2AALDH1A1LMNARAB9A

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-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 (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-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TDP1 719/4885KMT2A 4318/4885SLC6A2 4408/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 TDP1 672/4885KMT2A 4332/4885SLC6A2 4492/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 TDP1 672/4885KMT2A 4332/4885SLC6A2 4492/4885

“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.