SCHEMBL9842532

SCHEMBL9842532

Cn1cnc2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
PMP22 Q01453 2/20 0.62
MAPK1 P28482 1/20 0.62
ADORA2A P29274 5/20 0.55
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
GDA Q9Y2T3 2/20 0.44
EEF2K O00418 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
JAK3 P52333 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7464187 0.82 PDE4A (0.65) CYP3A4PMP22MAPK1ADORA2APDE4A
SCHEMBL9842568 0.81 PDE4A (0.59) CYP3A4PMP22MAPK1ADORA2APDE4A
SCHEMBL9842833 0.80 ALDH1A1 (0.67) MAPK1ADORA2APDE4APDE4BPDE4C
SCHEMBL9842911 0.79 MEN1 (0.62) MAPK1ADORA2APDE4APDE4BPDE4C
SCHEMBL9842775 0.78 SMN1; SMN2 (0.47) CYP3A4PMP22MAPK1ADORA2APDE4A
SCHEMBL9842882 0.78 MEN1 (0.60) MAPK1ADORA2APDE4APDE4BPDE4C
SCHEMBL9615238 0.77 SMN1; SMN2 (0.44) CYP3A4PMP22MAPK1ADORA2APDE4A
Theobromine SCHEMBL3184 0.77 CYP3A4 (1.00) CYP3A4PMP22MAPK1ADORA2APDE4A
Theobromine SCHEMBL11599459 0.77 CYP3A4 (1.00) CYP3A4PMP22MAPK1ADORA2APDE4A
Theobromine SCHEMBL1690622 0.77 CYP3A4 (1.00) CYP3A4PMP22MAPK1ADORA2APDE4A

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 10 patents. 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
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
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
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
EP-0430025-A2 Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-06-05 EP 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 CYP3A4 830/4885PMP22 1703/4885MAPK1 3354/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 CYP3A4 830/4885PMP22 1703/4885MAPK1 3354/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CYP3A4 830/4885PMP22 1703/4885MAPK1 3354/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CYP3A4 830/4885PMP22 1703/4885MAPK1 3354/4885

“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.