SCHEMBL3978660

SCHEMBL3978660

Nc1cccc(-c2ncnc3sc(C(=O)O)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.47
MAP3K8 P41279 2/20 0.44
ALDH1A1 P00352 3/20 0.42
MCL1 Q07820 1/20 0.42
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SHMT2 P34897 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 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
SCHEMBL3976595 0.83 SMN1; SMN2 (0.49) ALDH1A1KDM4EKMT2ACSNK1D
SCHEMBL3979203 0.75 PIK3CA (0.56) CAMKK2ALDH1A1KDM4EKMT2APOLB
SCHEMBL5456062 0.74 HSP90AB1 (0.45) MAP3K8ALDH1A1CSNK2A1CSNK2A2CSNK2B
SCHEMBL4899370 0.71 BRAF (0.69) ALDH1A1KDM4EKMT2ALIMK1BRAF
SCHEMBL3975603 0.71 PIP4K2A (0.49) CAMKK2ALDH1A1KDM4EKMT2APOLB
SCHEMBL18889209 0.70 SLC9A1 (0.56) MAP3K8MCL1CSNK2A1PLK4AURKA
SCHEMBL3325635 0.70 HSP90AB1 (0.70) MAP3K8ALDH1A1CSNK2A1KDM4EHSP90AB1
SCHEMBL7250463 0.69 MAP3K8 (0.77) MAP3K8CSNK2A1PLK4AURKADAPK3
SCHEMBL3976703 0.68 SELE (0.50) ALDH1A1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL6262954 0.67 HPGDS (0.69) ALDH1A1PTPN1KDM4EKMT2APOLB

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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 CAMKK2 617/4885MAP3K8 52/4885ALDH1A1 1138/4885

“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.