SCHEMBL6894548

SCHEMBL6894548

Nc1cc(-c2ccc(O)c(F)c2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CHEK1 O14757 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
ESR1 P03372 1/20 0.40

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
SCHEMBL7882741 0.96 MAPT (0.42) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6894509 0.85 FYN (0.44) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6891516 0.84 MEN1 (0.42) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6894602 0.84 MEN1 (0.46) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6893201 0.80 PIM1 (0.41) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6893512 0.80 MAPT (0.47) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6893413 0.79 MAPT (0.44) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL597527 0.78 CHEK1 (0.44) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6894012 0.78 PIK3CA (0.44) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL10234075 0.78 CHEK1 (0.46) MEN1KMT2AMAPTKDM4ENPC1

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 MEN1 3300/4885KMT2A 3565/4885MAPT 212/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MEN1 1398/4885KMT2A 2825/4885MAPT 2597/4885

“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.