SCHEMBL24130664

SCHEMBL24130664

COc1c(N2CCNCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.50
ADRB1 P08588 2/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR6 P50406 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 7/20 0.49
LMNA P02545 2/20 0.49
HTR7 P34969 3/20 0.48
GAA P10253 1/20 0.48
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.46

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
Hydrochloric Acid SCHEMBL30481714 0.99 MAPT (0.51) HTR3AADRB1DRD2DRD3HTR3E
SCHEMBL4866324 0.87 ALDH1A1 (0.50) CYP2C19MAPTLMNAGAAALDH1A1
SCHEMBL3643443 0.86 CYP1A2 (0.52) CYP2C19MAPTLMNAGAAALDH1A1
SCHEMBL8692030 0.84 SIRT6 (0.52) DRD2DRD3CYP2C19MAPTLMNA
SCHEMBL3722707 0.83 CTSB (0.53) CYP2C19MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL521342 0.81 MAPT (0.50) HTR6MAPTLMNAGAAALDH1A1
SCHEMBL29876153 0.81 HTR7 (0.60) ADRB1MAPTLMNAHTR7GAA
SCHEMBL113133 0.81 HTR7 (0.60) ADRB1MAPTLMNAHTR7GAA
SCHEMBL6663091 0.80 MAPT (0.52) HTR3AADRB1DRD2DRD3HTR3E
Hydrochloric Acid SCHEMBL29947196 0.79 MAPT (0.59) ADRB1MAPTLMNAHTR7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691971-B2 Naphthyridinone compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-07-04 US disclosed
US-20210395251-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2021-12-23 US disclosed
WO-2021257857-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2021-12-23 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 (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-11691971-B2 Naphthyridinone compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 HTR3A 4268/4885ADRB1 4503/4885DRD2 4522/4885
US-20210395251-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, JAK3 HTR3A 4268/4885ADRB1 4503/4885DRD2 4522/4885

“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.