SCHEMBL5140856

SCHEMBL5140856

CCCCCN1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.66
PTK2 Q05397 1/20 0.55
HTT P42858 4/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT3 P36888 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SLC2A1 P11166 2/20 0.50
SORD Q00796 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GBA1 P04062 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL17005627 0.87 HRH4 (0.62) HRH4PTK2HTTLMNASMN1; SMN2
SCHEMBL12844776 0.80 HRH4 (1.00) HRH4PTK2HTTLMNASMN1; SMN2
SCHEMBL8134047 0.78 HRH4 (0.64) HRH4LMNADRD2DRD3SLC2A1
SCHEMBL11188038 0.78 LMNA (0.65) HTTLMNASMN1; SMN2ALDH1A1SLC2A1
SCHEMBL31502028 0.77 ENPP1 (0.61) HRH4PTK2HTTLMNASMN1; SMN2
SCHEMBL20814058 0.77 ENPP1 (0.61) HRH4PTK2HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11393397 0.77 LMNA (0.63) LMNASMN1; SMN2ALDH1A1SLC2A1GBA1
SCHEMBL29230285 0.76 JAK3 (0.59) KIT
SCHEMBL29230280 0.76 LMNA (0.57) HRH4PTK2HTTLMNASMN1; SMN2
SCHEMBL2079895 0.76 HRH4 (0.61) HRH4PTK2HTTLMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309133-B2 Nanoparticulate quinazoline derivative formulations ALKERMES PHARMA IRELAND LIMITED (IE) 2012-11-13 US disclosed
EP-1871345-B1 NANOPARTICULATE ERLOTINIB FORMULATIONS ELAN PHARMA INT LTD (IE) 2012-08-01 EP disclosed
EP-1871345-A1 NANOPARTICULATE QUINAZOLINE DERIVATIVE FORMULATIONS Elan Pharma International Limited (IE) 2008-01-02 EP disclosed
US-20060246142-A1 Nanoparticulate quinazoline derivative formulations ELAN PHARMA INTERNATIONAL, LIMITED 2006-11-02 US disclosed
WO-2006110811-A1 NANOPARTICULATE QUINAZOLINE DERIVATIVE FORMULATIONS ELAN PHARMA INTERNATIONAL LIMITED (IE) 2006-10-19 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-20060246142-A1 Nanoparticulate quinazoline derivative formulations KRAS, NRAS, ABL1 HRH4 325/4885PTK2 1185/4885HTT 619/4885

“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.