SCHEMBL22802010

SCHEMBL22802010

CC1(N)CC(n2ccc3ccc(N4CCN(c5ccc(-c6ccccn6)cc5)CC4)nc32)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ AURKA O14965 2/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ F12 P00748 2/20 0.34
▸ DHFR P00374 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PDGFRB P09619 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
SCHEMBL21281488 0.85 AURKA (0.38) CNR2AURKACDK4KDM4ENPC1
SCHEMBL21268788 0.85 AURKA (0.38) CNR2AURKACDK4KDM4ENPC1
Ammonia Solution, Strong SCHEMBL28510213 0.70 GPR119 (0.42) PARP1
SCHEMBL21285460 0.68 AURKA (0.47) AURKACDK4KDM4EMAPTSMN1; SMN2
SCHEMBL21274298 0.67 CNR2 (0.34) CNR2NPC1MAPTRAB9ASMO
SCHEMBL21274300 0.67 CNR2 (0.34) CNR2NPC1MAPTRAB9ASMO
SCHEMBL7615836 0.67 MAPT (0.51) CNR2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21274084 0.66 HSD11B1 (0.40) PARP1
SCHEMBL14754507 0.66 CNR2 (0.62) CNR2AURKAKDM4ENPC1MAPT
SCHEMBL18175193 0.66 CNR2 (0.58) CNR2AURKAKDM4ENPC1MAPT

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 CNR2 639/4885AURKA 4236/4885CDK4 3939/4885

“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.

Send feedback