SCHEMBL306376

SCHEMBL306376

CC(C)(C)OC(=O)N1CCO[C@H](COCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
EPHA2 P29317 4/20 0.44
STS P08842 1/20 0.43
PARP1 P09874 1/20 0.43
PDK1 Q15118 1/20 0.43
USP30 Q70CQ3 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERBB2 P04626 1/20 0.42
EPHB4 P54760 1/20 0.42
TACR1 P25103 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KLK7 P49862 1/20 0.41

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
SCHEMBL306377 1.00 JAK2 (0.46) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL969537 1.00 JAK2 (0.46) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL17749375 0.90 SMN1; SMN2 (0.50) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL21069485 0.89 EPHA2 (0.52) SMN1; SMN2GPR119EPHA2PDK1USP30
SCHEMBL30987068 0.89 JAK2 (0.47) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL7713084 0.89 PDK1 (0.40) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL30987030 0.87 GAA (0.41) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL21069408 0.87 EPHA2 (0.41) SMN1; SMN2GPR119EPHA2PARP1PDK1
SCHEMBL30987040 0.87 GAA (0.41) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL31536752 0.87 GAA (0.41) JAK2JAK1GAATHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 EP disclosed
EP-1869020-B1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORP (US) 2010-12-01 EP disclosed
US-20100210640-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-08-19 US disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 US disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 EP disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2007006715-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA JAK2 4000/4885JAK1 3852/4885GAA 1382/4885
US-20100210640-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF HTR4, HTR5A, TPH1 JAK2 1011/4885JAK1 1493/4885GAA 671/4885

“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.