SCHEMBL19686970

SCHEMBL19686970

Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(-c3ccccc3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.45
KCNN2 Q9H2S1 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.37
GBA1 P04062 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
PIM1 P11309 1/20 0.35
IDH2 P48735 2/20 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
SCHEMBL19686279 0.86 IDH1 (0.51) IDH1KCNN2KCNN3LMNASMN1; SMN2
SCHEMBL19686292 0.84 IDH1 (0.47) IDH1KCNN2KCNN3IDH2
SCHEMBL19686965 0.83 IDH1 (0.48) IDH1KCNN2KCNN3LMNAMEN1
SCHEMBL19686787 0.83 IDH1 (0.48) IDH1KCNN2KCNN3LMNASMN1; SMN2
SCHEMBL19687363 0.82 KCNN2 (0.47) IDH1KCNN2KCNN3LMNASMN1; SMN2
SCHEMBL21143624 0.82 KCNN2 (0.43) IDH1KCNN2KCNN3LMNASMN1; SMN2
SCHEMBL19686312 0.82 IDH1 (0.47) IDH1KCNN2KCNN3IDH2
SCHEMBL19687054 0.82 PIK3CA (0.42) IDH1LMNASMN1; SMN2HTTMEN1
SCHEMBL19686973 0.81 IDH1 (0.47) IDH1KCNN2KCNN3IDH2
SCHEMBL21143965 0.81 IDH1 (0.47) IDH1KCNN2KCNN3IDH2

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 IDH1 3017/4885KCNN2 5/4885KCNN3 11/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885KCNN2 5/4885KCNN3 11/4885

“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.