SCHEMBL20181877

SCHEMBL20181877

Cn1cc(C(=O)NC2CCOCC2)c2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
TNKS O95271 1/20 0.57
HTR3A P46098 7/20 0.52
NR4A2 P43354 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CHRM2 P08172 2/20 0.49
ADRA2A P08913 2/20 0.49
CHRM1 P11229 2/20 0.49
ADRA2B P18089 2/20 0.49
CHRM3 P20309 2/20 0.49
HTR2A P28223 2/20 0.49

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
SCHEMBL3462908 0.87 RAB9A (0.77) RAB9ATNKSALDH1A1LMNA
SCHEMBL23940238 0.84 HTR3A (0.47) TNKSHTR3ACNR1CNR2
SCHEMBL10388774 0.79 HTR3A (0.67) HTR3AALDH1A1
Hydrochloric Acid SCHEMBL10389213 0.78 HTR3A (0.66) HTR3A
SCHEMBL27249980 0.76 HTR3A (0.53) RAB9AHTR3ANR4A2CNR1CNR2
SCHEMBL14183897 0.76 RAB9A (0.49) RAB9ATNKSHTR3AKMT2ABCHE
SCHEMBL19902713 0.75 TNKS (0.50) RAB9ATNKSHTR3ANR4A2MITF
SCHEMBL1093252 0.74 BRD4 (0.69) NR4A2MITFALDH1A1LMNAMAPT
SCHEMBL23940225 0.74 HDAC6 (0.56) NR4A2MITFALDH1A1LMNAMAPT
SCHEMBL13162693 0.74 NPC1 (0.72) RAB9AALDH1A1KMT2AALOX15

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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 US disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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 (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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 RAB9A 3539/4885TNKS 348/4885HTR3A 2012/4885

“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.