SCHEMBL22200723

SCHEMBL22200723

CSc1ncc(N)c(NC(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HASPIN Q8TF76 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
NTRK1 P04629 1/20 0.31
MAPK1 P28482 1/20 0.31
SYK P43405 2/20 0.30
GSK3B P49841 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL12876461 0.80 KDM4E (0.42) ALDH1A1KDM4EHASPINMEN1KMT2A
SCHEMBL27361537 0.79 CDK1 (0.46) KDM4EMEN1KMT2ACDK2MAPK8
SCHEMBL29991317 0.79 CDK1 (0.46) KDM4EMEN1KMT2ACDK2MAPK8
SCHEMBL3968862 0.79 AOC1 (0.40) ALDH1A1KDM4EMEN1KMT2ASYK
SCHEMBL30955646 0.79 AOC1 (0.40) ALDH1A1KDM4EMEN1KMT2ASYK
SCHEMBL14432020 0.79 MEN1 (0.38) ALDH1A1KDM4EHASPINMEN1KMT2A
SCHEMBL25211340 0.78 NTRK1 (0.35) ALDH1A1KDM4EMEN1KMT2ANTRK1
SCHEMBL5067063 0.77 MEN1 (0.34) ALDH1A1KDM4EMEN1KMT2ACDK2
SCHEMBL13734182 0.76 MAPK8 (0.52) ALDH1A1MEN1KMT2AMAPK8MAPK9
SCHEMBL12639125 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EHASPINMEN1KMT2A

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 11 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
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
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 APP 1269/4885ALDH1A1 291/4885KDM4E 470/4885
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD APP 2117/4885ALDH1A1 1912/4885KDM4E 2139/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B APP 2116/4885ALDH1A1 123/4885KDM4E 546/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD APP 2117/4885ALDH1A1 1912/4885KDM4E 2139/4885

“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.