SCHEMBL27158496

SCHEMBL27158496

Fc1ccc(-c2nc3nc(Br)cnc3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTK2 Q05397 1/20 0.40
MAPK13 O15264 3/20 0.40
GCGR P47871 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
CLK4 Q9HAZ1 2/20 0.38
ABL1 P00519 1/20 0.38
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
CDK7 P50613 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKAA1 Q13131 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL24075062 0.84 TRPV1 (0.49) ALDH1A1PKMKDM4ENPC1RAB9A
SCHEMBL27157966 0.82 METAP2 (0.38) PTK2MAPK14CLK4ABL1RET
SCHEMBL30329195 0.81 KDM4C (0.41) PTK2MAPK14CLK4ABL1RET
SCHEMBL11838228 0.79 KDM4E (0.50) ALDH1A1PKMKDM4ENPC1RAB9A
SCHEMBL13607851 0.74 ALDH1A1 (0.47) ALDH1A1PKMKDM4ENPC1RAB9A
SCHEMBL29912896 0.71 PI4KA (0.46) ALDH1A1SMN1; SMN2MAPK13GCGRMAPK12
SCHEMBL29202322 0.71 PI4KA (0.46) ALDH1A1SMN1; SMN2MAPK13GCGRMAPK12
SCHEMBL4060567 0.71 AURKA (0.68) ALDH1A1PKMKDM4ENPC1RAB9A
SCHEMBL11842320 0.70 MAPK1 (0.42) ALDH1A1PKMKDM4EPTK2CLK4
SCHEMBL985864 0.68 ALDH1A1 (0.47) ALDH1A1PKMKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 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 (1 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-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 ALDH1A1 1938/4885PKM 1040/4885KDM4E 3762/4885

“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.