SCHEMBL14898447

SCHEMBL14898447

CON(C)C(=O)c1ccc2c(c1)CN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
SLC6A4 P31645 1/20 0.45
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
MLYCD O95822 1/20 0.40
ROCK2 O75116 3/20 0.39
CYP3A4 P08684 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPK1 P28482 1/20 0.39
F10 P00742 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 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
SCHEMBL14101201 0.81 ESR1 (0.58) MLYCDMAPK1
SCHEMBL16440960 0.81 ALDH1A1 (0.54) MLYCD
SCHEMBL5077828 0.80 NR1H2 (0.62) MAPK1
SCHEMBL4224828 0.80 HDAC6 (0.46) MAOAMAOBMAPK1
SCHEMBL309165 0.80 MAOA (0.50) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL12608356 0.79 AKR1C3 (0.47) DRD1DRD5CYP3A4
SCHEMBL3181683 0.78 ESR1 (0.56)
SCHEMBL1413449 0.77 ALDH1A1 (0.58) MAOAMAOBSLC6A4
SCHEMBL7482694 0.77 NPC1 (0.53) MAOAMAOBSLC6A4MAPK1
SCHEMBL17999898 0.76 HDAC6 (0.36) MAOAMAOBMLYCDMAPK1

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-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 US disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 MAOA 3361/4885MAOB 2934/4885SLC6A4 4593/4885

“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.