SCHEMBL22190643

SCHEMBL22190643

CSc1ncc2ncc(=O)n(C(C)C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 11/20 0.37
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 5/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
HPGD P15428 2/20 0.37
CYP2D6 P10635 1/20 0.37
PIM1 P11309 2/20 0.37
TTK P33981 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
CYP2C19 P33261 4/20 0.35
USP2 O75604 3/20 0.35
GLA P06280 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
MEN1 O00255 4/20 0.33

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
SCHEMBL30278828 1.00 KDM4E (0.38) KDM4EPKMCYP1A2ALDH1A1HSD17B10
SCHEMBL31532102 0.80 CYP1A2 (0.58) KDM4EPKMCYP1A2ALDH1A1HSD17B10
SCHEMBL5264817 0.79 CDK4 (0.54) PIM1TTKPIM2CDK4CCND1
SCHEMBL29991137 0.79 CDK4 (0.54) PIM1TTKPIM2CDK4CCND1
SCHEMBL17807800 0.78 CYP1A2 (0.39) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL22200718 0.78 MTOR (0.40) KDM4ECYP1A2ALDH1A1HSD17B10CASP1
SCHEMBL22190717 0.78 CYP1A2 (0.39) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL1318966 0.75 CDK4 (0.47) KDM4EALDH1A1PIM1TTKPIM2
SCHEMBL30879077 0.74 PIM1 (0.39) PIM1TTKPIM2CDK4CCND1
SCHEMBL23507970 0.72 USP1 (0.41) PIM1TTKPIM2

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
US-12559505-B2 IDH mutant inhibitor and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2026-02-24 US disclosed
EP-3941919-B1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH INC (US) 2025-12-24 EP disclosed
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use GENENTECH, INC. (US) 2025-07-01 US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
CN-115768775-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-03-07 CN disclosed
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US disclosed
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US disclosed
EP-3941919-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES Genentech, Inc. (US) 2022-01-26 EP disclosed
WO-2022001916-A1 IDH MUTANT INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2022-01-06 WO disclosed
CN-113508115-A Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases 基因泰克公司 2021-10-15 CN disclosed
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 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 (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-12559505-B2 IDH mutant inhibitor and use thereof IDH3A, IDH1, IDH3B KDM4E 470/4885PKM 1010/4885CYP1A2 698/4885
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD KDM4E 2139/4885PKM 44/4885CYP1A2 1312/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B KDM4E 546/4885PKM 2019/4885CYP1A2 1269/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD KDM4E 2139/4885PKM 44/4885CYP1A2 1312/4885

“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.