SCHEMBL6842742

SCHEMBL6842742

Cc1nn2ccccc2c1-c1nc(-c2ccccc2C(F)(F)F)c(-c2nc[nH]n2)s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.34
VCP P55072 1/20 0.31
CDC7 O00311 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
HSD11B1 P28845 2/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL952732 0.87 VCP (0.32) VCPALDH1A1
SCHEMBL6842664 0.87 VCP (0.32) F2RL3VCPCDC7CDK2DBF4
SCHEMBL6845035 0.87 MBOAT4 (0.31)
SCHEMBL956759 0.86 VCP (0.31) VCP
SCHEMBL6842809 0.85 EGFR (0.32) VCP
SCHEMBL6842807 0.84 VCP (0.32) VCP
SCHEMBL6845139 0.84 ALDH1A1 (0.35) F2RL3ALDH1A1
SCHEMBL956234 0.84 VCP (0.33) VCP
SCHEMBL953305 0.84 PTGS1 (0.36) F2RL3VCP
SCHEMBL16938027 0.84 VCP (0.30) 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 F2RL3 4796/4885VCP 2637/4885CDC7 601/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL3 2057/4885VCP 3470/4885CDC7 1063/4885

“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.