SCHEMBL26323321

SCHEMBL26323321

CC1=NCCC(Nc2cnc3[nH]c(-c4ccc(C)cc4)nc3c2)=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ RET P07949 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MET P08581 1/20 0.35
▸ HPSE Q9Y251 1/20 0.34
▸ HSPD1 P10809 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ HSPE1 P61604 1/20 0.34
▸ NPBWR1 P48145 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ TNKS2 Q9H2K2 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL26323330 0.83 KDR (0.42) KDRMETHPSEHSPD1PTPN2
SCHEMBL26323315 0.74 CBFB (0.34) KDRMETHPSERAB9ASMN1; SMN2
SCHEMBL26323345 0.71 PRMT5 (0.37) NPBWR1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL23999491 0.70 KDR (0.47) KDR
SCHEMBL4843914 0.69 KDR (0.57) KDRCDK5ABL1RETCDK7
SCHEMBL985911 0.69 CDK5 (0.50) KDRCDK5ABL1RETCDK7
SCHEMBL27634265 0.65 AURKA (0.63) KDRCDK5ABL1RETCDK7
SCHEMBL987534 0.65 NPBWR1 (0.61) KDRCDK5ABL1RETCDK7
SCHEMBL9693787 0.64 MAPK1 (0.48) KDRCDK5ABL1RETCDK7
SCHEMBL5621310 0.64 KDM4E (0.47) CDK5CDK7AURKBCLK4ALDH1A1

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KDR 3433/4885CDK5 339/4885ABL1 1240/4885

“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.

Send feedback