SCHEMBL16370253

SCHEMBL16370253

CC(C)Nc1nc(NC(C)C)nc(-n2ccnc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.72
NPC1 O15118 1/20 0.72
HSD17B10 Q99714 1/20 0.72
MAPK1 P28482 4/20 0.65
PDE4A P27815 1/20 0.47
PDE7A Q13946 1/20 0.47
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
CD38 P28907 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL9025866 0.74 LMNA (0.67) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL13034788 0.74 TSHR (0.51) TSHRNPC1HSD17B10MAPK1CD38
SCHEMBL24782873 0.70 LMNA (0.55) TSHRNPC1HSD17B10KMT2AMEN1
SCHEMBL8041736 0.69 GAA (0.74) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL5634320 0.69 TSHR (0.43) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL13037188 0.68 LMNA (0.50) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL5191172 0.66 KMT2A (0.41) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL8537182 0.66 TSHR (0.72) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL8535233 0.66 TSHR (0.72) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL8538378 0.66 TSHR (0.64) TSHRNPC1HSD17B10MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686190-A1 SYNTHESIS OF THERAPEUTICALLY ACTIVE COMPOUNDS Agios Pharmaceuticals, Inc. (US) 2020-07-29 EP claimed
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 EP claimed
US-12433895-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2025-10-07 US disclosed
US-20240335448-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE PHARMARESROUCES (SHANGHAI) CO., LTD. (CN) 2024-10-10 US disclosed
US-11844758-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-12-19 US disclosed
US-20220354856-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2022-11-10 US disclosed
US-10946023-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2021-03-16 US disclosed
EP-3686190-A1 SYNTHESIS OF THERAPEUTICALLY ACTIVE COMPOUNDS Agios Pharmaceuticals, Inc. (US) 2020-07-29 EP disclosed
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 EP disclosed
US-20190117661-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-04-25 US disclosed
US-10172864-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-10028961-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-20170107194-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-04-20 US disclosed
US-9579324-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-02-28 US disclosed
US-20160220572-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-04 US disclosed
EP-3019483-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP disclosed
WO-2015003640-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 WO 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 (10 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-20190117661-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-12433895-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-11844758-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-10028961-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-10172864-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-20240335448-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-10946023-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-20160220572-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-20170107194-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885
US-20220354856-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT TSHR 3788/4885NPC1 513/4885HSD17B10 3135/4885

“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.