SCHEMBL954113

SCHEMBL954113

Cc1nn2ccc(OC3CCN(C(=O)CO)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2nnc[nH]2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.33
IGF1R P08069 1/20 0.33
SCD5 Q86SK9 1/20 0.32
BRD4 O60885 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.30
SCD O00767 1/20 0.30
NEK2 P51955 1/20 0.30
PLK1 P53350 1/20 0.30
CYP3A4 P08684 1/20 0.30
TTK P33981 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
MCHR1 Q99705 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6842770 0.88 LMNA (0.35) KCNH2IGF1RSCD5BRD4JAK2
SCHEMBL6842769 0.86 KHK (0.35) KCNH2IGF1RIKBKBCHUK
SCHEMBL952612 0.82 ROCK1 (0.32)
SCHEMBL954657 0.81 IKBKB (0.37) KCNH2IGF1RSCD5IKBKBCHUK
SCHEMBL12918322 0.80 LTA4H (0.36) KDM4E
SCHEMBL6842765 0.80 SIGMAR1 (0.38)
SCHEMBL958147 0.79 PPARD (0.34) IGF1RBRD4SCDMCHR1
SCHEMBL6842759 0.79 HRH3 (0.34) IGF1RKDM4E
SCHEMBL6842754 0.78 ACSS2 (0.36) IKBKBCHUKLMNAKDM4EALDH1A1
SCHEMBL13256642 0.78 FGFR1 (0.31)

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 4 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-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-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 KCNH2 4419/4885IGF1R 57/4885SCD5 2089/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KCNH2 4076/4885IGF1R 24/4885SCD5 1344/4885

“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.