SCHEMBL1633632

SCHEMBL1633632

Oc1c(Cl)ccc2cnc(Cl)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
HSP90AA1 P07900 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15B O15296 1/20 0.34
NR1I2 O75469 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ALOX5 P09917 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
SLC6A2 P23975 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL30515553 1.00 MAPT (0.34) MAPTKDM4ELMNAHSP90AA1ALDH1A1
SCHEMBL1635199 0.81 KMT2A (0.33) KDM4EHSP90AA1SMN1; SMN2MEN1TP53
SCHEMBL31574156 0.81 KMT2A (0.33) KDM4EHSP90AA1SMN1; SMN2MEN1TP53
SCHEMBL18073578 0.81 KDM4E (0.35) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL13313261 0.75 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL3239306 0.74 P4HB (0.40) MAPTKDM4ELMNAHSP90AA1ALDH1A1
SCHEMBL7935896 0.72 CRHBP (0.38) MAPTKDM4ELMNAHSP90AA1ALDH1A1
SCHEMBL1634276 0.72 METAP2 (0.48) MAPTKDM4EHSP90AA1ALDH1A1MEN1
SCHEMBL25329853 0.72 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2MEN1HTR1A
SCHEMBL2917596 0.71 NOS1 (0.39) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143135-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-08-03 WO disclosed
CN-116514728-A Quinazoline derivative and application thereof 赛诺哈勃药业(成都)有限公司 2023-08-01 CN disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPT 2848/4885KDM4E 1007/4885LMNA 2822/4885

“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.