SCHEMBL6894058

SCHEMBL6894058

COc1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
FYN P06241 1/20 0.48
RET P07949 6/20 0.47
KIF5B P33176 6/20 0.47
KDR P35968 5/20 0.47
ETV6 P41212 5/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
CCDC6 Q16204 4/20 0.45
GAK O14976 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL6893512 0.96 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6894509 0.87 FYN (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6893413 0.85 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6894602 0.82 MEN1 (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7876265 0.81 KDM4E (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6894012 0.80 PIK3CA (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6894598 0.80 CSNK2A1 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10234081 0.80 TRPA1 (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7882741 0.80 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6893199 0.80 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1

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 4 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

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 MAPT 212/4885MEN1 3300/4885KMT2A 3565/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MAPT 2597/4885MEN1 1398/4885KMT2A 2825/4885

“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.