SCHEMBL2264009

SCHEMBL2264009

Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)nc1-c1cc2c(N3CCC[C@H](N)C3)ccnc2cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
PIK3CA P42336 1/20 0.44
PIM3 Q86V86 5/20 0.43
PIM2 Q9P1W9 5/20 0.43
PIM1 P11309 14/20 0.41
ATR Q13535 1/20 0.41
PBK Q96KB5 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39

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
SCHEMBL2264020 1.00 CYP2C19 (0.44) CYP2C19PIK3CAPIM3PIM2PIM1
SCHEMBL2263091 0.93 PIM1 (0.44) CYP2C19PIK3CAPIM3PIM2PIM1
SCHEMBL2263094 0.93 PIM1 (0.44) CYP2C19PIK3CAPIM3PIM2PIM1
SCHEMBL2265574 0.91 PIM1 (0.42) PIM3PIM2PIM1PBK
SCHEMBL2265568 0.91 PIM1 (0.42) PIM3PIM2PIM1PBK
SCHEMBL2266901 0.88 PIM1 (0.44) CYP2C19PIK3CAPIM3PIM2PIM1
SCHEMBL2266894 0.88 PIM1 (0.44) CYP2C19PIK3CAPIM3PIM2PIM1
SCHEMBL2264863 0.88 PIM3 (0.46) PIM3PIM2PIM1PBK
SCHEMBL2264870 0.88 PIM3 (0.46) PIM3PIM2PIM1PBK
SCHEMBL13457691 0.88 PIM3 (0.44) CYP2C19PIK3CAPIM3PIM2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203075-B Bicyclic kinase inhibitors NOVARTIS AG 2014-09-10 CN claimed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US claimed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US claimed
CN-102203075-B Bicyclic kinase inhibitors NOVARTIS AG 2014-09-10 CN disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 CYP2C19 3920/4885PIK3CA 64/4885PIM3 3/4885

“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.