SCHEMBL6187607

SCHEMBL6187607

Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.64
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 2/20 0.56
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.53
MDM2 Q00987 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL8658204 0.98 MAPK1 (0.62) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL8439255 0.82 KDM4E (0.70) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL12233268 0.82 MAPK1 (0.53) MAPK1KDM4EMAPTALDH1A1RECQL
SCHEMBL28775271 0.80 KDM4E (0.53) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL6876786 0.79 GAA (0.58) MAPK1KDM4EGAAL3MBTL1ALDH1A1
SCHEMBL18989534 0.79 ALDH1A1 (0.46) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL638044 0.79 MAPK1 (1.00) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL638043 0.79 MAPK1 (1.00) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL18990275 0.78 MAPK1 (0.50) MAPK1KDM4EGAAL3MBTL1MAPT
SCHEMBL15331425 0.78 MAPK1 (0.76) MAPK1KDM4EGAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-4387974-A1 COMPOUNDS AS IMMUNOMODULATORS OF PD-L1 INTERACTIONS Ascletics Bioscience Co., Ltd. (CN) 2024-06-26 EP disclosed
CN-117813309-A Compounds as immunomodulators for PD-L1 interactions 歌礼生物科技(杭州)有限公司 2024-04-02 CN disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
WO-2023019430-A1 COMPOUNDS AS IMMUNOMODULATORS OF PD-L1 INTERACTIONS ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-02-23 WO disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 US disclosed
EP-3389664-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF Raze Therapeutics Inc. (US) 2018-10-24 EP disclosed
EP-1091960-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-18 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 WO disclosed
EP-0986561-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION The Regents of the University of California (US) 2000-03-22 EP disclosed
WO-2000000491-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-06 WO disclosed
US-5843943-A Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-01 US disclosed
WO-1998052948-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-26 WO disclosed
EP-0801568-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 1998-02-25 EP disclosed
EP-0801568-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-22 EP disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed
WO-1996020710-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-07-11 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MAPK1 3354/4885KDM4E 1934/4885GAA 592/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MAPK1 3354/4885KDM4E 1934/4885GAA 592/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MAPK1 3354/4885KDM4E 1934/4885GAA 592/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MAPK1 3354/4885KDM4E 1934/4885GAA 592/4885

“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.