SCHEMBL954510

SCHEMBL954510

COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OC4CCN(C(C)=O)CC4)cc23)sc1-c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.35
KCNH2 Q12809 1/20 0.35
CDK9 P50750 3/20 0.34
CCNT1 O60563 2/20 0.34
BTK Q06187 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
EGFR P00533 1/20 0.32
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNB1 Q02641 1/20 0.32

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
SCHEMBL6845096 0.92 P2RX3 (0.32) IGF1RKCNH2SGK1
SCHEMBL6842777 0.90 IGF1R (0.30) IGF1RKCNH2
SCHEMBL13256921 0.89 CHEK2 (0.35) IGF1RKCNH2MAP4K1
SCHEMBL954657 0.87 IKBKB (0.37) IGF1RKCNH2PIK3CDPIK3CACASP7
SCHEMBL16937985 0.86 IGF1R (0.34) IGF1RKCNH2CDK9CCNT1BTK
SCHEMBL13256713 0.82 MAP4K1 (0.32) MAP4K1
SCHEMBL956260 0.80 PDE10A (0.33) CDK9CCNT1MAP4K1GRIN1GRIN2B
SCHEMBL957296 0.80 MAP4K1 (0.37) MAP4K1
SCHEMBL6842770 0.80 LMNA (0.35) IGF1RKCNH2POLB
SCHEMBL954079 0.79 CNR1 (0.35) KCNH2MAP4K1PIK3CA

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 13 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-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-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-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
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 IGF1R 57/4885KCNH2 4419/4885CDK9 317/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 IGF1R 24/4885KCNH2 4076/4885CDK9 239/4885

“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.