SCHEMBL5131625

SCHEMBL5131625

CN1CCN(Cc2cc(N)cc(N3CCOCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
PIK3CA P42336 2/20 0.44
CHKA P35790 2/20 0.44
TMEM97 Q5BJF2 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
ADRA2C P18825 3/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MC4R P32245 1/20 0.41
PIK3CB P42338 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL5130191 0.90 NCF1 (0.46) PIK3CATMEM97SIGMAR1ADRA2CMAPT
SCHEMBL5129937 0.87 HRH3 (0.46) PIK3CATMEM97SIGMAR1ADRA2CMAPT
SCHEMBL14032704 0.84 KDM4E (0.45) LMNAPIK3CACHKATMEM97SIGMAR1
SCHEMBL4554802 0.82 KDM4E (0.56) LMNAADRA2CKDM4EMAPTALDH1A1
SCHEMBL5129082 0.81 ALDH1A1 (0.43) PIK3CATMEM97SIGMAR1ADRA2CKDM4E
SCHEMBL22712682 0.80 LMNA (0.67) LMNACHKAKDM4EMAPTALDH1A1
SCHEMBL5129504 0.78 ALDH1A1 (0.50) LMNAKDM4EMAPTALDH1A1KMT2A
SCHEMBL7682161 0.78 NOS3 (0.49) PIK3CACHKATMEM97SIGMAR1ADRA2C
SCHEMBL978877 0.76 PIK3CA (0.46) LMNAPIK3CAKDM4EMAPTALDH1A1
SCHEMBL4436536 0.75 AGXT (0.48) LMNAPIK3CAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 LMNA 4146/4885PIK3CA 203/4885CHKA 385/4885

“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.