SCHEMBL5033486

SCHEMBL5033486

OC(c1ccccc1)c1ncc2[nH]cnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.49
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
MAPK14 Q16539 1/20 0.35
CTSA P10619 1/20 0.35
MAP3K7 O43318 1/20 0.35
MAP3K6 O95382 1/20 0.35
MAP3K5 Q99683 1/20 0.35
PAK1 Q13153 1/20 0.35
PRMT5 O14744 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 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
SCHEMBL2192291 0.77 SLC2A1 (0.48) CDK2SLC2A1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30535675 0.76 RXFP1 (0.47) CDK2SLC2A1ALDH1A1KDM4ERXFP1
SCHEMBL5033485 0.76 SLC2A1 (0.41) SLC2A1ALDH1A1KDM4EPTGS2SMN1; SMN2
SCHEMBL4385774 0.76 SMN1; SMN2 (0.37) SLC2A1ALDH1A1KDM4EPTGS2SMN1; SMN2
SCHEMBL31058752 0.76 KDM4E (0.50) CDK2ALDH1A1KDM4ERXFP1CTSA
SCHEMBL10602621 0.73 CDK2 (0.49) CDK2SLC2A1ALDH1A1KDM4ERXFP1
SCHEMBL5048198 0.72 CPA1 (0.51) CDK2ALDH1A1KDM4ERXFP1CTSA
SCHEMBL3578267 0.72 ALDH1A1 (0.53) CDK2ALDH1A1KDM4ERXFP1PTGS2
SCHEMBL8542833 0.72 CDK2 (0.62) CDK2SLC2A1ALDH1A1KDM4ERXFP1
SCHEMBL2640836 0.71 ALDH1A1 (0.53) CDK2ALDH1A1KDM4ERXFP1MAP3K7

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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 CDK2 306/4885SLC2A1 618/4885ALDH1A1 3278/4885

“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.