SCHEMBL6930928

SCHEMBL6930928

CCc1cc(I)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
RIPK1 Q13546 1/20 0.33
ERN1 O75460 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP2K2 P36507 3/20 0.33
MAP2K1 Q02750 3/20 0.33
TNIK Q9UKE5 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL257063 0.82 AKR1B1 (0.35) RIPK1MAP2K2MAP2K1TNIK
SCHEMBL2791884 0.79 PNMT (0.31) MAP2K2MAP2K1
SCHEMBL8104506 0.78 IDO1 (0.36) ERN1
SCHEMBL1477460 0.77 SLC6A4 (0.40) MAP2K2MAP2K1
SCHEMBL18653548 0.77 LOXL2 (0.38) MAP2K2MAP2K1
SCHEMBL20560697 0.77 IDO1 (0.33) MAP2K1
SCHEMBL26586520 0.77
SCHEMBL1131149 0.77
SCHEMBL30219553 0.77 ERN1 (0.34) ERN1MAP2K2MAP2K1
SCHEMBL1440125 0.77 ERN1 (0.34) ERN1MAP2K2MAP2K1

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
WO-2011068667-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 SLC9A1 727/4885RIPK1 834/4885ERN1 3269/4885

“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.