SCHEMBL990445

SCHEMBL990445

C[C@@H](Nc1cc(C#Cc2ccccc2)ccc1N)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLK1 P53350 1/20 0.35
APP P05067 1/20 0.34
HTR2A P28223 1/20 0.34
ASIC3 Q9UHC3 2/20 0.34
FFAR1 O14842 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 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
SCHEMBL990443 1.00 MAPT (0.40) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL989806 0.78 MAPT (0.41) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL989805 0.78 MAPT (0.41) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21799647 0.74 PLK1 (0.41) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL29922792 0.74 PLK1 (0.41) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL12478974 0.68 MAPT (0.54) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL15540073 0.67 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL15540072 0.67 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL16756424 0.67 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL16598981 0.64 MAPT (0.54) MAPTKDM4EMEN1NPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPT 2603/4885KDM4E 900/4885MEN1 1362/4885

“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.