SCHEMBL6842769

SCHEMBL6842769

Cc1nn2ccc(OC3CCNCC3)cc2c1-c1nc(-c2ccccc2)c(-c2nnc[nH]2)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KHK P50053 3/20 0.35
HRH1 P35367 1/20 0.31
SYK P43405 2/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
LCK P06239 1/20 0.31
ROCK1 Q13464 1/20 0.31
IGF1R P08069 1/20 0.31
KCNH2 Q12809 1/20 0.31
PLAT P00750 2/20 0.30
NSD3 Q9BZ95 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
SCHEMBL16937979 0.88 KHK (0.35) KHKHRH1SYKIKBKBCHUK
SCHEMBL952263 0.87 KHK (0.36) KHKHRH1SYKIKBKBCHUK
SCHEMBL954113 0.86 KCNH2 (0.33) IKBKBCHUKIGF1RKCNH2
SCHEMBL952612 0.83 ROCK1 (0.32) ROCK1
SCHEMBL958147 0.83 PPARD (0.34) IGF1R
SCHEMBL13256642 0.82 FGFR1 (0.31)
SCHEMBL952536 0.81
SCHEMBL12918322 0.81 LTA4H (0.36)
SCHEMBL6842759 0.81 HRH3 (0.34) IGF1R
SCHEMBL956236 0.80 IGF1R (0.35) IGF1R

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 KHK 1478/4885HRH1 4374/4885SYK 319/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KHK 1382/4885HRH1 143/4885SYK 1182/4885

“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.