SCHEMBL26323330

SCHEMBL26323330

CC1=NCCC(Nc2ccc3[nH]c(-c4ccc(C)cc4)nc3c2)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.42
▸ MET P08581 1/20 0.42
▸ HPSE Q9Y251 2/20 0.41
▸ HSPD1 P10809 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ HSPE1 P61604 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ NPBWR1 P48145 2/20 0.39
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38

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
SCHEMBL26323315 0.85 CBFB (0.34) KDRMETHPSENPC1RAB9A
SCHEMBL26323321 0.83 KDR (0.39) KDRMETHPSEHSPD1PTPN2
SCHEMBL26323345 0.79 PRMT5 (0.37) NPBWR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29056577 0.75 HPSE (0.52) KDRMETHPSEHSPD1PTPN2
SCHEMBL7574964 0.72 NPC1 (0.58) HPSEHSPD1PTPN2PTPN1PTPN5
SCHEMBL13041697 0.70 NPBWR1 (0.55) HPSEHSPD1PTPN2PTPN1PTPN5
SCHEMBL14494924 0.70 NPC1 (0.60) HPSENPBWR1NPC1RAB9AALDH1A1
SCHEMBL13420244 0.70 EGFR (0.54) KDRHPSEHSPD1PTPN2PTPN1
SCHEMBL13041693 0.69 NPBWR1 (0.64) HPSEHSPD1PTPN2PTPN1PTPN5
SCHEMBL14683901 0.68 HPSE (0.50) HPSENPC1RAB9AALDH1A1SMN1; 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-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 3433/4885MET 1498/4885HPSE 2642/4885

“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