SCHEMBL855547

SCHEMBL855547

COc1ccc(Nc2cc(Cl)nc(Cl)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PABPC1 P11940 4/20 0.47
USP2 O75604 1/20 0.47
PIK3CA P42336 6/20 0.45
PIK3CD O00329 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 3/20 0.45
ULK1 O75385 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MTOR P42345 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
FYN P06241 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13288393 0.86 MAPT (0.67) MAPTSMN1; SMN2POLBGAAPIK3CA
SCHEMBL10157859 0.84 MEN1 (0.60) MAPTSMN1; SMN2POLBGAAMEN1
SCHEMBL856753 0.77 PIK3CA (0.58) MAPTPOLBPIK3CAPIK3CDPIK3CB
SCHEMBL856892 0.77 PIK3CA (0.69) MAPTPOLBMEN1KMT2APIK3CA
SCHEMBL3988558 0.77 MAPT (0.74) MAPTSMN1; SMN2POLBGAANPC1
SCHEMBL14127702 0.76 KMT2A (0.55) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL29636514 0.76 KMT2A (0.55) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4880624 0.73 TXN (0.53) MAPTSMN1; SMN2POLBGAAMEN1
SCHEMBL9870182 0.73 MAPT (0.49) MAPTSMN1; SMN2POLBGAAMEN1
SCHEMBL19690974 0.73 MAPT (0.52) MAPTSMN1; SMN2POLBGAAMEN1

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-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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 (1 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A MAPT 3354/4885SMN1; SMN2 3893/4885POLB 1334/4885

“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.