SCHEMBL10255249

SCHEMBL10255249

CC(C)(C)C(=O)N1CCN(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 5/20 0.57
SKP1 P63208 5/20 0.57
SKP2 Q13309 5/20 0.57
PIM2 Q9P1W9 6/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATR Q13535 2/20 0.42
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PDK2 Q15119 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10255318 0.88 PIM2 (0.56) CKS1BSKP1SKP2PIM2KMT2A
SCHEMBL10255307 0.85 DGAT1 (0.49) CKS1BSKP1SKP2PIM2NPC1
SCHEMBL10255255 0.85 PIM2 (0.44) CKS1BSKP1SKP2PIM2NPC1
SCHEMBL10255788 0.85 NPC1 (0.52) CKS1BSKP1SKP2PIM2NPC1
SCHEMBL10256348 0.85 RAB9A (0.50) CKS1BSKP1SKP2PIM2KMT2A
SCHEMBL14822722 0.85 NPC1 (0.56) CKS1BSKP1SKP2PIM2KMT2A
SCHEMBL10255806 0.84 ATR (0.55) KMT2AMEN1ATRHSD17B10KDM4E
SCHEMBL10255805 0.84 RAB9A (0.52) CKS1BSKP1SKP2PIM2KMT2A
SCHEMBL10255301 0.83 ALDH1A1 (0.53) PIM2RAB9AATRTSHRALOX15
SCHEMBL10255214 0.83 GAA (0.48) CKS1BSKP1SKP2PIM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 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-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 CKS1B 117/4885SKP1 171/4885SKP2 156/4885

“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.