SCHEMBL5135084

SCHEMBL5135084

Clc1ccc(CCNc2ncc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.53
HTT P42858 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PDE10A Q9Y233 1/20 0.51
FDPS P14324 1/20 0.49
MKNK2 Q9HBH9 3/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MYLK Q15746 1/20 0.46
APP P05067 2/20 0.46

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
SCHEMBL27857052 0.88 APP (0.57) HTTALDH1A1LMNAMAPTHDAC3
Hydrochloric Acid SCHEMBL10585056 0.87 APP (0.56) HTTALDH1A1LMNAMAPTHDAC3
SCHEMBL27873802 0.79 HPGD (0.59) CYP1A2CYP2D6CYP2C19PDE10AFDPS
SCHEMBL7683833 0.75 FDPS (0.56) ALDH1A1PDE10AFDPSAPP
SCHEMBL4376041 0.74 APP (0.49) MRGPRX1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27857007 0.73 RAD52 (0.56) ALDH1A1LMNAMAPTHDAC3HDAC1
SCHEMBL11477682 0.73 FDPS (0.57) ALDH1A1PDE10AFDPSMKNK2MKNK1
SCHEMBL27485928 0.73 TLR8 (0.54) PDE10AFDPS
SCHEMBL3337103 0.73 FDPS (0.53) CYP2C19PDE10AFDPSMKNK2MKNK1
SCHEMBL31141666 0.72 HDAC3 (0.58) MRGPRX1HTTALDH1A1LMNACYP1A2

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 MRGPRX1 2661/4885HTT 619/4885ALDH1A1 2763/4885

“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.