SCHEMBL914028

SCHEMBL914028

CN1CCC[C@H]1C(=O)Nc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 4/20 0.50
PARP1 P09874 2/20 0.50
DDX3X O00571 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49
USP2 O75604 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL914030 1.00 CYP3A4 (0.54) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL19831310 0.85 CYP3A4 (0.55) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL26207454 0.84 ALDH1A1 (0.57) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL12890054 0.84 ALDH1A1 (0.57) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL915385 0.81 KMT2A (0.59) CYP2D6ALDH1A1DDX3XGAAMEN1
SCHEMBL915382 0.81 KMT2A (0.59) CYP2D6ALDH1A1DDX3XGAAMEN1
SCHEMBL31633420 0.81 HCRTR1 (0.44) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL11270164 0.80 HPGD (0.55) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL20634019 0.80 HPGD (0.55) CYP3A4CYP2D6ALDH1A1NPSR1PARP1
SCHEMBL76416 0.80 ALDH1A1 (0.52) CYP3A4CYP2D6ALDH1A1NPSR1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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 (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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 CYP3A4 1251/4885CYP2D6 1872/4885ALDH1A1 2512/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 CYP3A4 1251/4885CYP2D6 1872/4885ALDH1A1 2512/4885

“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.