SCHEMBL116636

SCHEMBL116636

Fc1cccc(-c2cccnc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.62
PIM1 P11309 1/20 0.58
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PTK2 Q05397 1/20 0.51
CYP19A1 P11511 5/20 0.50
MAPT P10636 2/20 0.50
AXL P30530 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
METAP2 P50579 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
KARS1 Q15046 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3194702 0.86 CYP2A6 (0.74) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL16451456 0.81 CYP2A6 (0.59) CYP2A6PIM1ALDH1A1CYP3A4CYP1A2
SCHEMBL18905222 0.80 CYP19A1 (0.69) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL12925581 0.80 CYP2A6 (0.67) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL14297284 0.78 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL10031168 0.78 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL23278780 0.78 RAB9A (0.47) PIM1ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL4651412 0.77 MEN1 (0.68) ALDH1A1HSP90AA1MAPTKDM4ELMNA
SCHEMBL12925672 0.77 CYP19A1 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL9887487 0.77 CYP2A6 (0.62) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD CYP2A6 4125/4885PIM1 232/4885ALDH1A1 4256/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD CYP2A6 4125/4885PIM1 232/4885ALDH1A1 4256/4885

“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.