SCHEMBL9880595

SCHEMBL9880595

Cc1cn(C(=O)OCc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 3/20 0.47
P2RX4 Q99571 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.42
CTRB1 P17538 1/20 0.42
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL20173266 0.82 HTR2C (0.45) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL22784012 0.82 ALDH1A1 (0.44) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL7167346 0.81 FAAH (0.48) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL6554136 0.80 ALDH1A1 (0.42) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL17410492 0.77 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2837955 0.76 SLC7A5 (0.48) P2RX4KMT2AMEN1SMN1; SMN2CYP2C19
SCHEMBL28935982 0.76 NR1H2 (0.41) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL27391678 0.76 ALDH1A1 (0.50) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL29203797 0.75 HTR2C (0.39) HTR2CALDH1A1P2RX4KMT2AMEN1
SCHEMBL323456 0.74 ALDH1A1 (0.52) HTR2CALDH1A1P2RX4KMT2AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
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
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 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-20210171534-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-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS AHNAK, POLL, NUDC HTR2C 2741/4885ALDH1A1 3913/4885P2RX4 570/4885

“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.