SCHEMBL5023129

SCHEMBL5023129

O=C1CCCN1CCn1ncc2cncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34

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
SCHEMBL2956922 0.72 SIGMAR1 (0.50) SIGMAR1
SCHEMBL15328228 0.72 SIGMAR1 (0.33) SIGMAR1ALDH1A1KDM4ENPC1LMNA
SCHEMBL9983135 0.70 NPC1 (0.41) SIGMAR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2186841 0.70 CYP1A2 (0.43) SIGMAR1ALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL31162924 0.70 NPC1 (0.41) SIGMAR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL21297544 0.70 MTNR1A (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10CYP1A2
SCHEMBL261644 0.69 PIK3CD (0.58) ALDH1A1LMNAPIK3CDCYP1A2CYP2C9
SCHEMBL479505 0.68 KMO (0.44) ALDH1A1KDM4ELMNAHSD17B10CYP1A2
SCHEMBL28997095 0.68 ADORA2A (0.36) NPC1RAB9ACYP1A2TSHR
SCHEMBL2244617 0.67 XDH (0.46) ALDH1A1LMNAHSD17B10PIK3CDCYP1A2

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 SIGMAR1 2862/4885ALDH1A1 3275/4885KDM4E 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.