SCHEMBL19013267

SCHEMBL19013267

Cn1c(Br)nc2c1c(=O)n(CCc1ccc(Cl)c(Cl)c1)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ LMNA P02545 2/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ MAPT P10636 6/20 0.53
▸ TP53 P04637 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HIF1A Q16665 3/20 0.51
▸ MAOB P27338 3/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ MTHFD2 P13995 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
SCHEMBL18989627 0.89 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19013266 0.82 LMNA (0.73) SMN1; SMN2LMNAMAPTTP53ALDH1A1
SCHEMBL18990073 0.80 ALDH1A1 (0.57) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18990320 0.79 LMNA (0.65) SMN1; SMN2LMNASTAT6MAPTTP53
SCHEMBL19013441 0.79 MAPT (0.63) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18990018 0.78 ALDH1A1 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18990047 0.77 MAOB (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18990537 0.77 ALDH1A1 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18990154 0.77 ALDH1A1 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18989801 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19

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 7 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
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — 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 SMN1; SMN2 1247/4885CYP1A2 113/4885CYP3A4 830/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885CYP1A2 113/4885CYP3A4 830/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885CYP1A2 113/4885CYP3A4 830/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885CYP1A2 113/4885CYP3A4 830/4885

“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.

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