SCHEMBL30268000

SCHEMBL30268000

COc1cccc(-c2cc(N)nc(C)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ DYRK1A Q13627 2/20 0.50
▸ PFKFB3 Q16875 3/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GLA P06280 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
SCHEMBL31295947 0.86 DYRK1A (0.69) DYRK1AMKNK1MKNK2MAP4K4KDM4E
SCHEMBL7705899 0.78 KMT2A (0.57) DYRK1AMAP4K4KDM4EALDH1A1HPGD
SCHEMBL5751719 0.78 HSP90AA1 (0.54) DYRK1AMKNK1MKNK2KDM4EALDH1A1
SCHEMBL8265150 0.78 ADORA2A (0.66) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL31298725 0.78 MKNK1 (0.46) MAPTDYRK1AMKNK1MKNK2MAP4K4
SCHEMBL28338207 0.77 CLK4 (0.61) TP53MAPTDYRK1AKDM4EALDH1A1
SCHEMBL5753423 0.76 MAPT (0.48) TP53MAPTDYRK1AMKNK1MKNK2
SCHEMBL30577987 0.76 ADORA2A (0.67) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL30577982 0.76 ADORA2A (0.67) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL28029282 0.76 CLK4 (0.65) TP53MAPTDYRK1ANPC1RAB9A

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 TP53 2372/4885MAPT 845/4885DYRK1A 2727/4885

“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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