SCHEMBL1674097

SCHEMBL1674097

O=C(O)n1c(CN2CCOCC2)nc2nc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CXCR4 P61073 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EPAS1 Q99814 1/20 0.37
RECQL P46063 1/20 0.37
CYP2A13 Q16696 1/20 0.37

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
SCHEMBL1673782 0.83 POLB (0.40) LMNASMN1; SMN2TSHRPOLBMAPK1
SCHEMBL3509962 0.67 PARP1 (0.47) KDM4ECNR1CNR2CXCR4AKR1C3
SCHEMBL27238713 0.66 CYP2A13 (0.50) KDM4EHTTCXCR4CYP1A2CYP2C19
SCHEMBL5697691 0.66 CYP2C9 (0.60) LMNAKDM4EGAAMAPK1CXCR4
SCHEMBL3509848 0.66 CNR2 (0.42) LMNASMN1; SMN2HPGDHTTCNR1
SCHEMBL1673842 0.65 HPGD (0.57) HPGDKDM4EHTTCXCR4ALDH1A1
SCHEMBL3507628 0.64 CYP2C9 (0.49) LMNASMN1; SMN2KDM4EGAAHTT
SCHEMBL3511170 0.64 HCRTR1 (0.55) SMN1; SMN2TSHRHIF1AMAPK1CNR1
SCHEMBL19013416 0.64 CXCR4 (0.58) SMN1; SMN2HIF1AHTTCNR1CXCR4
SCHEMBL3508920 0.64 CYP2A13 (0.53) LMNASMN1; SMN2HIF1AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 US 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-20110082136-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 LMNA 4080/4885SMN1; SMN2 3656/4885TSHR 1230/4885

“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.