SCHEMBL4424686

SCHEMBL4424686

CCOC(=O)c1[nH]c(C)c(-c2ccnc(NC(C)C)n2)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.48
CDK2 P24941 2/20 0.48
EIF2AK2 P19525 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK8 P45983 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4425032 0.89 EIF2AK2 (0.46) CDK4CDK2EIF2AK2CYP1A2CYP2C9
SCHEMBL4425029 0.89 EIF2AK2 (0.46) CDK4CDK2EIF2AK2CYP1A2CYP2C9
SCHEMBL4420428 0.85 CDK4 (0.53) CDK4CDK2EIF2AK2MAPK8
SCHEMBL8316804 0.83 CDK4 (0.59) CDK4CDK2EIF2AK2ALDH1A1RAB9A
SCHEMBL8324569 0.83 EIF2AK2 (0.52) CDK4CDK2EIF2AK2MAPK8LMNA
SCHEMBL8317316 0.81 CDK2 (0.74) CDK4CDK2EIF2AK2LMNAALDH1A1
SCHEMBL8317365 0.81 CDK2 (0.60) CDK4CDK2EIF2AK2LMNAALDH1A1
SCHEMBL8324564 0.79 CDK4 (0.66) CDK4CDK2EIF2AK2SMN1; SMN2RAB9A
SCHEMBL8325791 0.78 CDK2 (0.56) CDK4CDK2RAB9AKDM4EMAPT
SCHEMBL8324791 0.78 EIF2AK2 (0.61) CDK4CDK2EIF2AK2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606284-B1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2009-12-02 EP disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
EP-1606284-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20040220200-A1 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-11-04 US disclosed
WO-2004083203-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-30 WO disclosed
WO-2004083203-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-30 WO 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-20040220200-A1 Compositions useful as protein kinase inhibitors PRKCH, MAP3K20, PACSIN2 CDK4 380/4885CDK2 106/4885EIF2AK2 557/4885

“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.