SCHEMBL14992154

SCHEMBL14992154

C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1C(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.41
ITGA4 P13612 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ELANE P08246 1/20 0.40
JAK2 O60674 3/20 0.40
CASP3 P42574 2/20 0.40
CASP6 P55212 2/20 0.40
CASP8 Q14790 2/20 0.40
PTGS2 P35354 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
CYP3A4 P08684 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
SCHEMBL14992153 1.00 ITGB1 (0.41) ITGB1ITGA4MAPTMEN1KMT2A
SCHEMBL356174 0.88 TLR7 (0.40) ITGB1ITGA4MAPTMEN1KMT2A
SCHEMBL16629048 0.87 KDM4E (0.38) MAPTMEN1KMT2AJAK2CASP3
SCHEMBL19864295 0.87 MEN1 (0.41) MAPTMEN1KMT2ALMNAJAK2
SCHEMBL18188914 0.87 HDAC4 (0.46) ITGB1ITGA4MAPTELANECASP3
SCHEMBL16583378 0.85 PTGS2 (0.47) ITGB1ITGA4MAPTMEN1KMT2A
SCHEMBL10163665 0.83 RXFP1 (0.55) MAPTMEN1KMT2ALMNARXFP1
SCHEMBL1752734 0.82 MEN1 (0.53) MAPTMEN1KMT2ALMNA
SCHEMBL11901432 0.82 CXCL8 (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL20061313 0.81 ITGB1 (0.43) ITGB1ITGA4MAPTGAARAB9A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
WO-2015061204-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-30 WO disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
WO-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed
WO-2015051244-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed
WO-2013116562-A1 COMPOSITIONS AND METHODS OF TREATING A DISEASE WITH (S)-4 AMINO-6-((1-(5-CHLORO-4-OXO-3-PHENYL-3,4-DIHYDROQUINAZOLIN-2-YL)ETHYL)AMINO)PYRIMIDINE-5-CARBONITRILE GILEAD CALISTOGA LLC (US) 2013-08-08 WO disclosed
WO-2013082540-A1 COMPOSITIONS AND METHODS OF TREATING A PROLIFERATIVE DISEASE WITH A QUINAZOLINONE DERIVATIVE GILEAD CALISTOGA LLC (US) 2013-06-06 WO disclosed
US-20130143902-A1 COMPOSITIONS AND METHODS OF TREATING A PROLIFERATIVE DISEASE WITH A QUINAZOLINONE DERIVATIVE GILEAD CALISTOGA LLC (US) 2013-06-06 US disclosed
US-20130143902-A1 COMPOSITIONS AND METHODS OF TREATING A PROLIFERATIVE DISEASE WITH A QUINAZOLINONE DERIVATIVE GILEAD CALISTOGA LLC (US) 2013-06-06 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885
US-20130143902-A1 COMPOSITIONS AND METHODS OF TREATING A PROLIFERATIVE DISEASE WITH A QUINAZOLINONE DERIVATIVE TP53, KRAS, MKI67 ITGB1 4388/4885ITGA4 4013/4885MAPT 1588/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ITGB1 3395/4885ITGA4 3977/4885MAPT 1605/4885

“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.