SCHEMBL913952

SCHEMBL913952

CC(C)(C)OC(=O)N1CCC(CNc2nc(Cl)ncc2C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
TDO2 P48775 1/20 0.49
SYK P43405 1/20 0.48
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
IRAK1 P51617 1/20 0.45
MERTK Q12866 1/20 0.45
BCDIN3D Q7Z5W3 1/20 0.45
ACKR3 P25106 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 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
SCHEMBL736363 0.94 SYK (0.53) IDO1TDO2SYKCCNT1CDK9
SCHEMBL16003390 0.92 SYK (0.50) IDO1TDO2SYKCCNT1CDK9
SCHEMBL15056440 0.89 IDO1 (0.51) IDO1TDO2SYKCCNT1CDK9
SCHEMBL16337321 0.89 IDO1 (0.51) IDO1TDO2SYKCCNT1CDK9
SCHEMBL16337782 0.89 IDO1 (0.51) IDO1TDO2SYKCCNT1CDK9
SCHEMBL913985 0.89 MEN1 (0.47) IDO1TDO2SYKCCNT1CDK9
SCHEMBL15056512 0.88 IDO1 (0.50) IDO1TDO2SYKCCNT1CDK9
SCHEMBL15056511 0.88 IDO1 (0.50) IDO1TDO2SYKCCNT1CDK9
SCHEMBL2463486 0.87 IDO1 (0.54) IDO1TDO2SYKCCNT1CDK9
SCHEMBL2460443 0.87 IDO1 (0.54) IDO1TDO2SYKCCNT1CDK9

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 14 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
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 IDO1 434/4885TDO2 1026/4885SYK 72/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 IDO1 434/4885TDO2 1026/4885SYK 72/4885

“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.