SCHEMBL3764339

SCHEMBL3764339

COC(=O)Nc1nc2cnc(Br)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.54
HIF1A Q16665 5/20 0.54
MAPK1 P28482 4/20 0.54
CYP1A2 P05177 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDR P35968 4/20 0.52
ALDH1A1 P00352 3/20 0.52
ABL1 P00519 2/20 0.52
CYP2C9 P11712 2/20 0.52
HTT P42858 2/20 0.52
CYP2C19 P33261 1/20 0.52
ABCC4 O15439 1/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TUBB4A P04350 5/20 0.51
TUBB P07437 5/20 0.51
TUBA3C P0DPH7 5/20 0.51
TUBA1B P68363 5/20 0.51
TUBA4A P68366 5/20 0.51
TUBB4B P68371 5/20 0.51

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
SCHEMBL3715874 0.84 NPC1 (0.42) LMNAMAPK1SMN1; SMN2ALDH1A1TUBB4A
SCHEMBL6126460 0.79 LMNA (0.63) LMNAHIF1AMAPK1CYP1A2SMN1; SMN2
SCHEMBL11378313 0.76 LMNA (0.53) LMNAHIF1AMAPK1CYP1A2SMN1; SMN2
SCHEMBL11379777 0.76 LMNA (0.53) LMNAHIF1AMAPK1CYP1A2SMN1; SMN2
SCHEMBL10727499 0.75 LMNA (0.55) LMNAHIF1AMAPK1CYP1A2SMN1; SMN2
Carbendazim SCHEMBL8427009 0.75 LMNA (0.71) LMNAHIF1ACYP1A2SMN1; SMN2KDR
Carbendazim SCHEMBL21051 0.75 LMNA (0.71) LMNAHIF1ACYP1A2SMN1; SMN2KDR
Carbendazim SCHEMBL29357746 0.75 LMNA (0.71) LMNAHIF1ACYP1A2SMN1; SMN2KDR
SCHEMBL5037530 0.74 LMNA (0.64) LMNAHIF1AMAPK1CYP1A2SMN1; SMN2
SCHEMBL11402164 0.74 TUBB4A (0.76) LMNAHIF1AMAPK1CYP1A2SMN1; SMN2

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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 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 (3 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2593/4885HIF1A 1872/4885MAPK1 119/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2817/4885HIF1A 2051/4885MAPK1 134/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2157/4885HIF1A 1737/4885MAPK1 105/4885

“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.