SCHEMBL6842770

SCHEMBL6842770

Cc1nn2ccc(OC3CCN(C(=O)CO)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2nc[nH]n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KCNH2 Q12809 3/20 0.35
IGF1R P08069 2/20 0.35
MAPT P10636 1/20 0.34
PTPN1 P18031 1/20 0.34
TP53 P04637 2/20 0.33
CYP3A4 P08684 1/20 0.33
TTK P33981 1/20 0.33
SCD5 Q86SK9 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
HPGD P15428 1/20 0.32
MCHR1 Q99705 1/20 0.31
SCD O00767 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
SCHEMBL954657 0.92 IKBKB (0.37) KCNH2IGF1RPTPN1TP53SCD5
SCHEMBL954113 0.88 KCNH2 (0.33) LMNAKCNH2IGF1RPTPN1CYP3A4
SCHEMBL952263 0.86 KHK (0.36) KCNH2IGF1RIKBKBCHUK
SCHEMBL952784 0.83 KHK (0.32) PTPN1
SCHEMBL6842777 0.82 IGF1R (0.30) KCNH2IGF1R
SCHEMBL6845096 0.81 P2RX3 (0.32) KCNH2IGF1R
SCHEMBL951975 0.80 SIGMAR1 (0.39)
SCHEMBL952134 0.80 LTA4H (0.38)
SCHEMBL954510 0.80 IGF1R (0.35) KCNH2IGF1RPOLB
SCHEMBL952049 0.79 HRH3 (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 9 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
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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 LMNA 4454/4885KCNH2 4419/4885IGF1R 57/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 LMNA 2019/4885KCNH2 4076/4885IGF1R 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.