SCHEMBL9055504

SCHEMBL9055504

Cc1ccc2c(c1)NCCNC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP10 Q53GL7 2/20 0.40
PARP1 P09874 1/20 0.40
HTR5A P47898 2/20 0.39
PARP11 Q9NR21 1/20 0.36
PNMT P11086 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL19657741 0.85 GAA (0.41) ALDH1A1GAAMAPTHSD17B10PARP10
SCHEMBL16602943 0.81
SCHEMBL30430557 0.78 PNMT (0.58) PARP10PARP1PARP11PNMTADRA2A
SCHEMBL28823705 0.78 PNMT (0.58) PARP10PARP1PARP11PNMTADRA2A
SCHEMBL30564582 0.78 PARP10 (0.56) ALDH1A1GAAMAPTHSD17B10PARP10
SCHEMBL426519 0.78 PARP10 (0.56) ALDH1A1GAAMAPTHSD17B10PARP10
SCHEMBL6618092 0.77 PNMT (0.56) PARP10PARP1HTR5APNMTADRA2A
SCHEMBL3141037 0.77 PARP1 (0.40) PARP10PARP1HTR5APNMTADRA2A
SCHEMBL2062026 0.77 KDM4E (0.41) GAAMAPTPNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL549603 0.76 PARP10 (0.55) ALDH1A1GAAMAPTHSD17B10PARP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 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 (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-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR ALDH1A1 1475/4885GAA 1999/4885MAPT 2618/4885

“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.