SCHEMBL18990394

SCHEMBL18990394

Cn1c(Br)nc2c1c(=O)n(Cc1cc3ccccc3n1C(=O)O)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 7/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TNF P01375 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL20592318 0.87 TNF (0.42) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18991070 0.87 ALDH1A1 (0.51) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18989604 0.87 TNF (0.43) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18990754 0.86 ALDH1A1 (0.46) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18989717 0.85 ALDH1A1 (0.49) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18990180 0.85 BRAF (0.43) ALDH1A1HIF1AHPGDSMN1; SMN2MEN1
SCHEMBL18990364 0.85 ALDH1A1 (0.48) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18990726 0.84 ALDH1A1 (0.43) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18990090 0.83 ALDH1A1 (0.43) RAB9ALMNAALDH1A1HIF1AHPGD
SCHEMBL18990640 0.82 LMNA (0.48) RAB9ALMNAALDH1A1HIF1AHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 RAB9A 3912/4885LMNA 3559/4885ALDH1A1 260/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 RAB9A 3912/4885LMNA 3559/4885ALDH1A1 260/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 RAB9A 3912/4885LMNA 3559/4885ALDH1A1 260/4885

“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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