SCHEMBL23917009

SCHEMBL23917009

COc1nccc(NCC(=O)NC23CCC4CCC(CC4C2)C3)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CRBN Q96SW2 2/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 3/20 0.30
TSHR P16473 1/20 0.30
FAAH O00519 1/20 0.30
CNR2 P34972 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23884267 0.84 KMT2A (0.46) MEN1KMT2APOLBRAB9AATM
SCHEMBL30165233 0.84 KMT2A (0.46) MEN1KMT2APOLBRAB9AATM
SCHEMBL23917151 0.68 RAB9A (0.45) MEN1KMT2APOLBRAB9AATM
SCHEMBL23917150 0.67 RAB9A (0.44) MEN1KMT2APOLBRAB9AATM
SCHEMBL19879507 0.62 TSHR (0.65) LMNAPOLBALDH1A1TSHRHTT
SCHEMBL30165247 0.61 PIK3C3 (0.43) PIK3C3MEN1KMT2ALMNAPOLB
SCHEMBL23884376 0.60 ALDH1A1 (0.46) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL26551523 0.60 TLR8 (0.44) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL19150881 0.60 ADORA3 (0.46) KMT2APOLBRAB9AHTTSMN1; SMN2
SCHEMBL19375737 0.60 EPHX1 (0.42) MEN1KMT2AATMKDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177452-A9 2-Pyrimidone Analogs as Potent Antiviral Agents Against Alphaviruses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-09 US disclosed
US-20210317106-A1 2-Pyrimidone Analogs as Potent Antiviral Agents Against Alphaviruses SOUTHERN RES INST (US) 2021-10-14 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-20210317106-A1 2-Pyrimidone Analogs as Potent Antiviral Agents Against Alphaviruses EIF2AK2, ZC3HAV1, MAVS PIK3C3 444/4885MEN1 4254/4885KMT2A 2117/4885
US-20220177452-A9 2-Pyrimidone Analogs as Potent Antiviral Agents Against Alphaviruses EIF2AK2, ZC3HAV1, MAVS PIK3C3 444/4885MEN1 4254/4885KMT2A 2117/4885

“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.