SCHEMBL4030728

SCHEMBL4030728

Cn1ccnc1COc1ccc(N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SYK P43405 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
IDH1 O75874 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TP53 P04637 2/20 0.38
NOX1 Q9Y5S8 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL27299549 0.84 KMT2A (0.51) KMT2AMEN1IDH1MRGPRX4TP53
SCHEMBL8308040 0.84 MEN1 (0.45) KMT2AMEN1HTR1ADRD2HTR7
SCHEMBL8308033 0.82 MEN1 (0.45) KMT2AMEN1SYKNOX1MAPT
SCHEMBL27299192 0.81 KMT2A (0.45) KMT2AMEN1IDH1TP53NOX1
SCHEMBL23537797 0.77 P2RY12 (0.40) KMT2AMEN1SYKHTR1ADRD2
SCHEMBL4036235 0.75 SYK (0.44) KMT2AMEN1SYKHTR1ADRD2
SCHEMBL23537766 0.75 SYK (0.41) KMT2AMEN1SYKHTR1ADRD2
SCHEMBL6284886 0.74 MEN1 (0.48) KMT2AMEN1GABRA1GABRG2GABRB3
SCHEMBL12409075 0.73 NPC1 (0.50) KMT2AMEN1SYKIDH1NOX1
SCHEMBL4028096 0.73 SYK (0.54) KMT2AMEN1SYKHTR1ADRD2

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
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 KMT2A 1693/4885MEN1 1212/4885SYK 318/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 KMT2A 1786/4885MEN1 2352/4885SYK 146/4885

“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.