SCHEMBL856035

SCHEMBL856035

Cc1ncnc(Cl)c1Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ENPP1 P22413 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL855865 0.92 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2EGFRERBB2
SCHEMBL5469424 0.88 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2
SCHEMBL855862 0.84 ENPP1 (0.47) LMNAALDH1A1SMN1; SMN2EGFRERBB2
SCHEMBL856234 0.83 SMN1; SMN2 (0.53) LMNAALDH1A1SMN1; SMN2ENPP1NPSR1
SCHEMBL856022 0.80 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2ENPP1NPSR1
SCHEMBL858663 0.78 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2NPSR1KMT2A
SCHEMBL5812511 0.76 LMNA (0.36) LMNAALDH1A1SMN1; SMN2EGFRNPSR1
SCHEMBL856222 0.76 SMN1; SMN2 (0.56) LMNAALDH1A1SMN1; SMN2ENPP1NPSR1
SCHEMBL856520 0.76 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2ENPP1NPSR1
SCHEMBL856091 0.76 SMN1; SMN2 (0.56) LMNAALDH1A1SMN1; SMN2ENPP1NPSR1

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-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
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP 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
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (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 2593/4885ALDH1A1 3395/4885SMN1; SMN2 3705/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2817/4885ALDH1A1 3533/4885SMN1; SMN2 3818/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2157/4885ALDH1A1 3049/4885SMN1; SMN2 3798/4885

“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.