SCHEMBL5015437

SCHEMBL5015437

CC(C(N)=O)(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CCNE2 O96020 6/20 0.33

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
SCHEMBL5015444 0.81 MAPT (0.41) MAPTKMT2AKDM4EHDAC3HDAC4
SCHEMBL2781433 0.70 MAPT (0.68) MAPTKMT2AKDM4EHDAC3HDAC4
Hydrochloric Acid SCHEMBL29096654 0.68 MAPT (0.65) MAPTKMT2AKDM4EHDAC3HDAC4
SCHEMBL3422617 0.68 MAPT (0.47) MAPTKMT2AKDM4EHDAC3HDAC4
SCHEMBL5014071 0.68 NPSR1 (0.34) KMT2AHDAC1HDAC6CCNE2CCNE1
SCHEMBL5015388 0.68 ALDH1A1 (0.35) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL19031884 0.65 MAPT (0.52) MAPTKMT2AKDM4EHDAC3HDAC4
SCHEMBL5022941 0.65 SCN9A (0.36) MAPTKMT2AKDM4EHDAC1HDAC6
SCHEMBL2202450 0.65 KMT2A (0.55) MAPTKMT2AKDM4EHDAC3HDAC4
SCHEMBL26133831 0.64 LMNA (0.51) MAPTKMT2AKDM4EHDAC3HDAC4

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 MAPT 2531/4885KMT2A 3504/4885KDM4E 2732/4885

“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.