SCHEMBL30645127

SCHEMBL30645127

[2H]c1nn2ccccc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
MAP4K4 O95819 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
DYRK1A Q13627 1/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHB3 P54753 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL84746 0.79 NPC1 (0.47) NPC1RAB9ALMNAHTTDRD4
SCHEMBL5019489 0.72 MAP4K4 (0.44) NPC1RAB9ALMNAHTTDRD4
SCHEMBL30645085 0.72 MAP4K4 (0.37) NPC1RAB9AMAP4K4ALDH1A1KDM4E
SCHEMBL8887892 0.68 MAP4K4 (0.40) NPC1RAB9ADRD4DRD3MAP4K4
SCHEMBL13660727 0.68 MAP4K4 (0.36) NPC1RAB9AHTTMAP4K4ALDH1A1
SCHEMBL4285576 0.67 CCNK (0.43) NPC1RAB9ADRD4DRD3MAP4K4
SCHEMBL2991851 0.65 NPC1 (0.42) NPC1RAB9ALMNAHTTDRD4
SCHEMBL955983 0.64 PIK3CG (0.54) NPC1RAB9ALMNAHTTALDH1A1
SCHEMBL13257675 0.64 PDE5A (0.38) DRD4DRD3ALDH1A1EGFRMEN1
SCHEMBL6744179 0.63 EPHB3 (0.47) NPC1RAB9ALMNAHTTDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919915-B2 Compounds and methods useful for stabilizing phenylalanine hydroxylase mutations AGIOS PHARMACEUTICALS, INC. (US) 2024-03-05 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US 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 (2 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-11919915-B2 Compounds and methods useful for stabilizing phenylalanine hydroxylase mutations PAH, KDM8, PHF8 NPC1 3526/4885RAB9A 1335/4885LMNA 798/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 NPC1 3526/4885RAB9A 1335/4885LMNA 798/4885

“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.