SCHEMBL15727746

SCHEMBL15727746

Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)s3)s2)n(C)c1=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.75
▸ RXFP1 Q9HBX9 7/20 0.69
▸ ALDH1A1 P00352 2/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ THRB P10828 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TRPA1 O75762 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ TP53 P04637 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ADORA2B P29275 1/20 0.55

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
SCHEMBL21443363 0.89 HSD17B10 (0.61) HSD17B10RXFP1ALDH1A1CYP2C9HPGD
SCHEMBL10113960 0.88 HSD17B10 (0.72) HSD17B10RXFP1ALDH1A1CYP2C9HPGD
SCHEMBL17200781 0.83 RXFP1 (0.68) HSD17B10RXFP1ALDH1A1CYP2C9HPGD
SCHEMBL18166765 0.82 HSD17B10 (0.78) HSD17B10RXFP1ALDH1A1CYP2C9HPGD
SCHEMBL18166637 0.81 HSD17B10 (0.67) HSD17B10RXFP1ALDH1A1CYP2C9HPGD
SCHEMBL18166715 0.81 HSD17B10 (0.67) HSD17B10RXFP1ALDH1A1CYP2C9HPGD
SCHEMBL15075803 0.80 RXFP1 (0.64) HSD17B10RXFP1ALDH1A1THRBCYP1A2
SCHEMBL10113920 0.79 PORCN (0.70) HSD17B10RXFP1ALDH1A1THRBCYP1A2
SCHEMBL18166643 0.77 RXFP1 (0.72) HSD17B10RXFP1THRBCYP1A2KMT2A
SCHEMBL27814929 0.77 RXFP1 (0.60) HSD17B10RXFP1ALDH1A1THRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 — — US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 — — US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 — — US disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — 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 (4 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL HSD17B10 510/4885RXFP1 4525/4885ALDH1A1 553/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL HSD17B10 510/4885RXFP1 4525/4885ALDH1A1 553/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL HSD17B10 631/4885RXFP1 4429/4885ALDH1A1 706/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL HSD17B10 534/4885RXFP1 4411/4885ALDH1A1 444/4885

“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.

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