SCHEMBL20148211

SCHEMBL20148211

Oc1cnc(N2CCC(O)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.45
SMPD3 Q9NY59 2/20 0.40
ACKR3 P25106 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KCNH2 Q12809 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CCNT1 O60563 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
ABL1 P00519 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL988306 0.81 KCNH2 (0.50) SMOSMPD3ACKR3PTPN11MAPT
SCHEMBL3608762 0.80 SMO (0.47) SMOSMPD3ACKR3PTPN11MAPT
SCHEMBL20148206 0.80 MAP4K4 (0.43) KDM4E
SCHEMBL8513708 0.77 SMO (0.42) SMOSMPD3ACKR3PTPN11MAPT
SCHEMBL30787580 0.74 LMNA (0.41) SMOSMPD3ACKR3PTPN11MAPT
SCHEMBL26863233 0.74 KDM4E (0.59) MAPTKDM4EGPR119
SCHEMBL358466 0.71 GPR119 (0.53) SMOSMPD3MAPTGPR119
SCHEMBL22581845 0.71 GPR119 (0.52) SMPD3MAPTLMNAKDM4EGPR119
SCHEMBL3832693 0.71 MAPT (0.43) SMOSMPD3PTPN11MAPTLMNA
SCHEMBL578596 0.71 AKR1C3 (0.51) SMOSMPD3PTPN11MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-10435391-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-08 US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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 (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-10435391-B2 Compounds RIPK2, RIPK1, RIPK4 SMO 3168/4885SMPD3 1224/4885ACKR3 3310/4885
US-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 SMO 3615/4885SMPD3 1152/4885ACKR3 2900/4885

“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.