SCHEMBL19686393

SCHEMBL19686393

FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-c3nccs3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
IDH1 O75874 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PIK3R2 O00459 2/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PIK3CA P42336 1/20 0.36
CCNT1 O60563 1/20 0.35
NUDT1 P36639 1/20 0.35
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PRKD1 Q15139 2/20 0.35
PRKD2 Q9BZL6 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19686649 0.83 IDH1 (0.44) ADORA2AIDH1IRAK4PIK3R2
SCHEMBL19686974 0.83 JAK2 (0.43) IDH1IRAK4PIK3R2PIK3CACCNT1
SCHEMBL19686956 0.83 IDH1 (0.43) IDH1PIK3CACCNT1NUDT1CHRM3
SCHEMBL19686596 0.83 IDH1 (0.60) IDH1PIK3CACCNT1NUDT1CHRM3
SCHEMBL19686843 0.82 IDH1 (0.59) IDH1
SCHEMBL19686678 0.82 IDH1 (0.37) IDH1PIK3CACCNT1NUDT1CHRM3
SCHEMBL19686916 0.81 IDH1 (0.50) IDH1CCNT1NUDT1CHRM3PDE4A
SCHEMBL19686473 0.81 IDH1 (0.41) ADORA2AIDH1IRAK4PIK3R2NUDT1
SCHEMBL19686975 0.80 IDH1 (0.45) IDH1IRAK4PIK3CACCNT1
SCHEMBL31127273 0.79 IDH1 (0.43) IDH1IRAK4CCNT1PRKD2

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885IDH1 3017/4885

“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.