SCHEMBL22645142

SCHEMBL22645142

CC(CCC(C)c1ncnc2c1cnn2C)c1nccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL25637243 1.00 MAPT (0.42) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL12766976 0.74 PI4KA (0.58) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL29249917 0.73 LMNA (0.49) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL28940999 0.71 LMNA (0.46) MAPTNPC1RAB9AMAPK1LMNA
SCHEMBL29249930 0.71 LMNA (0.46) MAPTNPC1RAB9AHTTLMNA
SCHEMBL11266782 0.70 LMNA (0.51) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL31364013 0.70 LMNA (0.45) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL31364072 0.69 LMNA (0.44) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL28771178 0.69 LMNA (0.44) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL19565945 0.69 LMNA (0.44) MAPTNPC1RAB9AMAPK1HTT

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-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 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-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV MAPT 3696/4885NPC1 2892/4885RAB9A 516/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV MAPT 3696/4885NPC1 2892/4885RAB9A 516/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 MAPT 3892/4885NPC1 3297/4885RAB9A 688/4885

“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.