SCHEMBL4318007

SCHEMBL4318007

CCCCCc1ncc2ncn(C3CCNCC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.40
ADORA2A P29274 1/20 0.38
MAPK14 Q16539 2/20 0.35
CTSL P07711 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HDAC1 Q13547 1/20 0.33
TSHR P16473 1/20 0.33
CETP P11597 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32
PLAT P00750 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL4334950 0.80 BRD4 (0.38) JAK1JAK2HDAC1PLATHTR2A
SCHEMBL16280901 0.77 JAK2 (0.47) JAK1JAK2MAPK14ALDH1A1CYP1A2
SCHEMBL4556072 0.76 PIK3CA (0.56) ADORA2A
SCHEMBL28214705 0.68 YTHDC1 (0.42) TSHR
SCHEMBL28214101 0.64 CNR2 (0.36) ADORA2AALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL4168541 0.63 TP53 (0.49) JAK1JAK2MAPK14CYP2C9CLK4
SCHEMBL28214704 0.63 MEN1 (0.42) ADORA2AALDH1A1CYP1A2CASP1CASP7
SCHEMBL3640716 0.62 HRH3 (0.52) ALDH1A1CYP1A2HSD17B10CYP2C9CETP
SCHEMBL22965825 0.61 TLR7 (0.39) ADORA2A
SCHEMBL14743315 0.61 ADORA2A (0.49) JAK1JAK2ADORA2AMAPK14CTSL

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 JAK1 209/4885JAK2 307/4885ADORA2A 167/4885

“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.