SCHEMBL20173264

SCHEMBL20173264

Cc1c(C(C)(C)C)ncn1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
P2RX4 Q99571 2/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
TP53 P04637 1/20 0.40
AGTR2 P50052 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCNE2 O96020 1/20 0.39

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
SCHEMBL25933278 0.83 HTR2C (0.48) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL21187189 0.76 P2RX4 (0.43) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL24576308 0.74 PARP1 (0.46) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL9880597 0.73 ALDH1A1 (0.49) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL7163540 0.72 ASAH1 (0.58) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL20173266 0.72 HTR2C (0.45) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL24576309 0.72 ASAH1 (0.47) HTR2CALDH1A1P2RX4KMT2ASMN1; SMN2
SCHEMBL9880610 0.72 ASAH1 (0.47) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL9880600 0.70 LMNA (0.56) HTR2CALDH1A1NPC1RAB9AP2RX4
SCHEMBL9880595 0.70 HTR2C (0.48) HTR2CALDH1A1NPC1RAB9AP2RX4

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 2 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-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 (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-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 HTR2C 3833/4885ALDH1A1 3071/4885NPC1 1742/4885
US-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 HTR2C 3997/4885ALDH1A1 2993/4885NPC1 1796/4885

“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.