SCHEMBL25004053

SCHEMBL25004053

CC(C)(C)c1cnc(N)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL26199991 0.78 HSP90AA1 (0.41) KDM4ENOS3NOS1NOS2ALDH1A1
SCHEMBL14616910 0.78 SSTR4 (0.46) KDM4EALDH1A1HPGDTSHRTDP1
SCHEMBL25038132 0.78 ALDH1A1 (0.35) KDM4EALDH1A1HPGDTSHRTDP1
SCHEMBL16154725 0.77 NOS3 (0.46) KDM4EPI4KAPI4K2BPI4K2API4KB
SCHEMBL17816446 0.76 PDE4A (0.39) KDM4EALDH1A1HPGDTSHRTDP1
SCHEMBL25003240 0.74 CHEK1 (0.37) KDM4EALDH1A1HPGDTSHRTDP1
SCHEMBL26054973 0.74 CAPN1 (0.34) KDM4EALDH1A1HPGDTSHRTDP1
SCHEMBL25003207 0.73 CYP1A2 (0.38) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL25003399 0.73 ALDH1A1 (0.50) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL25004055 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTSHRTDP1

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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF KDM4E 692/4885PI4KA 1984/4885PI4K2B 2497/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY KDM4E 425/4885PI4KA 3770/4885PI4K2B 3475/4885

“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.