SCHEMBL6842815

SCHEMBL6842815

Cc1nn2ccccc2c1-c1nc(-c2cnn(C)c2C)c(-c2nc[nH]n2)s1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
VCP P55072 1/20 0.31
IGF1R P08069 1/20 0.31
CYP3A4 P08684 1/20 0.31
CDK2 P24941 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6842798 0.87 VCP (0.33) VCP
SCHEMBL6842807 0.85 VCP (0.32) VCP
SCHEMBL952732 0.84 VCP (0.32) VCP
SCHEMBL6842664 0.84 VCP (0.32) VCPIGF1RCYP3A4CDK2KCNH2
SCHEMBL955918 0.83 VCP (0.35) VCP
SCHEMBL6842742 0.83 F2RL3 (0.34) VCPCDK2
SCHEMBL6842800 0.83 VCP (0.32) VCP
SCHEMBL12918261 0.83 VCP (0.36) VCP
SCHEMBL6842794 0.82 VCP (0.33) VCP
SCHEMBL6845056 0.82 PIK3CD (0.33) VCP

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
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 GRM5 1820/4885VCP 2637/4885IGF1R 57/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GRM5 3208/4885VCP 3470/4885IGF1R 24/4885

“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.