SCHEMBL18989717

SCHEMBL18989717

Cn1c(Br)nc2c1c(=O)n(Cc1cc3c(Cl)cccc3n1C(=O)O)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 6/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 4/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ PRNP P04156 1/20 0.42
▸ MTHFD2 P13995 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL18989987 0.92 ALDH1A1 (0.41) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18990754 0.90 ALDH1A1 (0.46) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18989861 0.89 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL18989650 0.89 ALDH1A1 (0.39) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18990270 0.89 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18989714 0.88 ALDH1A1 (0.44) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL29631846 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18989624 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18990726 0.87 ALDH1A1 (0.43) ALDH1A1HIF1AHPGDCYP2C9CYP2C19
SCHEMBL18990364 0.87 ALDH1A1 (0.48) ALDH1A1HIF1AHPGDCYP2C9CYP2C19

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 ALDH1A1 260/4885HIF1A 2295/4885HPGD 188/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HIF1A 2295/4885HPGD 188/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HIF1A 2295/4885HPGD 188/4885

“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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