SCHEMBL4185095

SCHEMBL4185095

c1ncc2cnn(C3CCNCC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CG P48736 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2D6 P10635 1/20 0.34
USP2 O75604 1/20 0.34
HIF1A Q16665 1/20 0.34
SRC P12931 2/20 0.33
CDK4 P11802 1/20 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
SCHEMBL31298636 0.89 CYP1A2 (0.42) ALDH1A1ALOX15CYP1A2CYP3A4CYP2C9
SCHEMBL31693432 0.82 PIM1 (0.40) CDK4JAK2JAK1PDE9A
SCHEMBL30030580 0.81 PDE9A (0.42) PDE9A
SCHEMBL31095514 0.76 CNR2 (0.39) PIK3CAMTORPIK3CGSRCPDE9A
SCHEMBL9983256 0.75 MERTK (0.40) PKMPIK3CAMTORPIK3CGSRC
SCHEMBL23580505 0.73 PIK3CA (0.40) ALDH1A1MEN1ALOX15KMT2AMAPT
SCHEMBL31336912 0.73 PIK3CA (0.40) ALDH1A1MEN1ALOX15KMT2AMAPT
SCHEMBL1501671 0.73 EGFR (0.50) ALDH1A1MEN1ALOX15KMT2AMAPT
Hydrochloric Acid SCHEMBL1501585 0.72 EGFR (0.49) ALDH1A1MEN1ALOX15KMT2AMAPT
SCHEMBL9982976 0.70 MEN1 (0.34) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD ALDH1A1 3052/4885MEN1 2209/4885ALOX15 3531/4885

“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.