SCHEMBL18989987

SCHEMBL18989987

CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)O)c(=O)c2c1nc(Br)n2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL18989717 0.92 ALDH1A1 (0.49) ALDH1A1HPGDHIF1ALMNASMN1; SMN2
SCHEMBL18991073 0.89 ALDH1A1 (0.38) ALDH1A1HPGDHIF1AKDM4EADORA1
SCHEMBL29631974 0.88 ALDH1A1 (0.38) ALDH1A1HPGDHIF1ALMNASMN1; SMN2
SCHEMBL18992081 0.88 ALDH1A1 (0.38) ALDH1A1HPGDHIF1ALMNASMN1; SMN2
SCHEMBL18989650 0.86 ALDH1A1 (0.39) ALDH1A1HPGDHIF1ALMNASMN1; SMN2
SCHEMBL18990675 0.86 ALDH1A1 (0.36) ALDH1A1HPGDHIF1ASMN1; SMN2KDM4E
SCHEMBL18990673 0.86 ALDH1A1 (0.36) ALDH1A1HPGDHIF1ASMN1; SMN2KDM4E
SCHEMBL18990754 0.82 ALDH1A1 (0.46) ALDH1A1HPGDHIF1ALMNASMN1; SMN2
SCHEMBL18989861 0.81 ALDH1A1 (0.45) ALDH1A1HPGDHIF1ALMNASMN1; SMN2
SCHEMBL18990270 0.81 ALDH1A1 (0.45) ALDH1A1HPGDHIF1ALMNASMN1; SMN2

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

“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.

Send feedback