SCHEMBL30406540

SCHEMBL30406540

O=C(NCC1CC(F)(F)C1)c1cnn2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ KDM4E B2RXH2 7/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ HTT P42858 2/20 0.57
▸ HSD17B10 Q99714 4/20 0.53
▸ EPHB3 P54753 5/20 0.51
▸ HSD11B1 P28845 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KLF5 Q13887 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL3457840 0.83 KDM4E (0.61) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL25158782 0.83 CNR2 (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30407164 0.82 HSD11B1 (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9282686 0.77 ALDH1A1 (0.66) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30407121 0.75 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3085478 0.74 EPHB3 (0.62) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30269996 0.74 ALDH1A1 (0.81) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30117871 0.73 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL25192954 0.72 EGLN1 (0.38) EPHB3
SCHEMBL6121120 0.71 NPC1 (0.63) ALDH1A1KDM4ENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 — — US claimed

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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 ALDH1A1 3447/4885KDM4E 1835/4885NPC1 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.

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