SCHEMBL5136559

SCHEMBL5136559

CCC(C)Sc1ncnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 7/20 0.53
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 2/20 0.49
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM1A O60341 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL5269788 0.80 BCAT2 (0.60) BCAT2HTTALDH1A1TDP1MAPT
SCHEMBL5136561 0.74 ALDH1A1 (0.58) HTTALDH1A1TDP1MAPTLMNA
SCHEMBL29975518 0.73 ALDH1A1 (0.56) BCAT2HTTALDH1A1TDP1MAPT
SCHEMBL1780458 0.73 ALDH1A1 (0.56) BCAT2HTTALDH1A1TDP1MAPT
SCHEMBL11803328 0.73 HTT (0.59) BCAT2HTTALDH1A1TDP1MAPT
SCHEMBL20115779 0.71 PI4KA (0.44) BCAT2HTTALDH1A1TDP1MAPT
SCHEMBL9356766 0.71 ALDH1A1 (0.54) BCAT2HTTALDH1A1TDP1MAPT
SCHEMBL10483749 0.70 ALDH1A1 (1.00) HTTALDH1A1TDP1MAPTLMNA
SCHEMBL1520395 0.70 MAPT (0.63) HTTALDH1A1TDP1MAPTLMNA
SCHEMBL15881921 0.69 HTT (0.59) HTTALDH1A1TDP1MAPTLMNA

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 BCAT2 1675/4885HTT 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.