SCHEMBL20173266

SCHEMBL20173266

CC(C)(C)c1cn(C(=O)OCc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 3/20 0.44
P2RX4 Q99571 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL9880595 0.82 HTR2C (0.48) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL22784012 0.78 ALDH1A1 (0.44) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL20173261 0.78 ALDH1A1 (0.46) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL7167346 0.78 FAAH (0.48) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL6554136 0.76 ALDH1A1 (0.42) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL29264681 0.75 SYK (0.47) KMT2AMEN1NPSR1L3MBTL1MAPK1
SCHEMBL20173269 0.74 HTR2C (0.46) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL24809456 0.74 MAPK13 (0.48) ALDH1A1P2RX4NPSR1NPC1RAB9A
SCHEMBL23376785 0.73 GPR119 (0.38) KMT2AMEN1SMN1; SMN2
SCHEMBL2837955 0.73 SLC7A5 (0.48) P2RX4KMT2AMEN1SMN1; SMN2CYP2C19

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 10 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-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 US disclosed
US-20210171534-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION 2021-06-10 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-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 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 (8 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 HTR2C 3833/4885ALDH1A1 3071/4885P2RX4 5/4885
US-20200017512-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885P2RX4 5/4885
US-20190225621-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885P2RX4 5/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885P2RX4 5/4885
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, CYP1B1 HTR2C 609/4885ALDH1A1 659/4885P2RX4 895/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 HTR2C 433/4885ALDH1A1 2886/4885P2RX4 8/4885
US-10301315-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, P2RX1, P2RX5 HTR2C 3997/4885ALDH1A1 2993/4885P2RX4 6/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 HTR2C 3997/4885ALDH1A1 2993/4885P2RX4 6/4885

“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.