SCHEMBL22488024

SCHEMBL22488024

CCCCC(C)(C)c1nc(C)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR8 Q9NR97 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CNR1 P21554 6/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
DNM2 P50570 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20933009 0.88 LMNA (0.35) MEN1KMT2ATLR8ESR1ESR2
SCHEMBL24604734 0.79 CNR2 (0.32) CNR2
SCHEMBL22487744 0.77 CNR2 (0.38) CNR2MEN1KMT2ATLR8CNR1
SCHEMBL1973566 0.76 CNR2 (0.38) CNR2CNR1LTB4RLTB4R2ALDH1A1
SCHEMBL22375251 0.73 ESR1 (0.39) CNR2MEN1KMT2ATLR8ESR1
SCHEMBL18531475 0.72 CNR2 (0.37) CNR2TLR8ESR1ESR2CNR1
SCHEMBL22487908 0.72 LMNA (0.33) ESR1ESR2LMNAKDM4EPOLB
SCHEMBL1238376 0.72 CNR1 (0.44) CNR2CNR1LTB4RLTB4R2GPR84
SCHEMBL18793226 0.71 CNR2 (0.34) CNR2KMT2ATLR8ESR1ESR2
SCHEMBL19363808 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS CNR2 3487/4885MEN1 189/4885KMT2A 3292/4885

“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.