SCHEMBL21037

SCHEMBL21037

[c]1cnc(OC2CCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
JAK3 P52333 2/20 0.31
ACACB O00763 1/20 0.31
S1PR1 P21453 1/20 0.31
VCP P55072 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
SCHEMBL16032114 0.73 LOX (0.38) PDGFRBPDGFRALOXLOXL2JAK3
SCHEMBL9899883 0.72 PDGFRB (0.36) PDGFRBPDGFRALOXLOXL2
SCHEMBL16031049 0.72 LOX (0.37) PDGFRBPDGFRALOXLOXL2JAK3
SCHEMBL2541858 0.72 LOX (0.41) PDGFRBPDGFRALOXLOXL2JAK3
SCHEMBL16031391 0.72 LOX (0.41) PDGFRBPDGFRALOXLOXL2JAK3
SCHEMBL20240757 0.70 LOX (0.43) PDGFRBPDGFRALOXLOXL2S1PR1
SCHEMBL8636961 0.70 LOX (0.43) PDGFRBPDGFRALOXLOXL2JAK3
SCHEMBL1973942 0.69 KDM1A (0.34)
SCHEMBL12949398 0.69 LOX (0.49) PDGFRBPDGFRALOXLOXL2
SCHEMBL2535505 0.68 CHRNB2 (0.36) PDGFRBPDGFRAACACBVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-9040457-B2 Phenylamidines having a high fungicidal activity and use thereof ISAGRO S.P.A. (IT) 2015-05-26 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
EP-2608666-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO S.p.A. (IT) 2013-07-03 EP disclosed
US-20130157851-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO S.P.A. (IT) 2013-06-20 US disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
WO-2012025450-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO RICERCA S.R.L. (IT) 2012-03-01 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 (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-20130157851-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF PAH, DPM1, PFAS PDGFRB 3602/4885PDGFRA 3338/4885LOX 2662/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 PDGFRB 2922/4885PDGFRA 2298/4885LOX 3541/4885

“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.