SCHEMBL10239378

SCHEMBL10239378

COC(=O)CCCCCc1cc(N(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.37
MAPT P10636 1/20 0.36
GBA1 P04062 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
MTOR P42345 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6894157 0.88 PIK3CA (0.41) LTB4RMAPTHDAC1HDAC2HDAC3
SCHEMBL7874886 0.86 LTB4R (0.34) LTB4RMAPTGBA1HDAC1HDAC2
SCHEMBL6894147 0.84 PIK3CA (0.42) MAPTHDAC1MTORCCNCCDK8
SCHEMBL2679636 0.77 PIK3CA (0.43) LTB4RMAPTHDAC1HDAC2HDAC3
SCHEMBL10239377 0.73 MAPT (0.41) MAPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL7878815 0.73 PIK3CA (0.44) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL589059 0.70 HCAR2 (0.33) MAPTKDM4ESMN1; SMN2FAAH
SCHEMBL6894012 0.67 PIK3CA (0.44) MAPTMTORKMT2AMEN1KDM4E
SCHEMBL2679517 0.66 LMNA (0.38) MAPTMTORKMT2AMEN1KDM4E
SCHEMBL7882524 0.66 PIK3CA (0.37) MTORKMT2AKDM4ESMN1; SMN2FAAH

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 1 patent. 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

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR LTB4R 4211/4885MAPT 2597/4885GBA1 3188/4885

“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.