SCHEMBL21165875

SCHEMBL21165875

OC(c1cc(NC2CCC(F)(F)CC2)nc(-n2cc(F)cn2)c1)c1ncco1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.36
IDH2 P48735 3/20 0.36
RET P07949 10/20 0.33
JAK2 O60674 1/20 0.31
KIF5B P33176 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
CCDC6 Q16204 1/20 0.31
CCNT1 O60563 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
SCHEMBL19687348 0.82 IDH1 (0.34) IDH1IDH2
SCHEMBL19687347 0.82 IDH1 (0.34) IDH1IDH2
SCHEMBL21165917 0.82 IDH1 (0.34) IDH1IDH2
SCHEMBL21166277 0.81 IDH1 (0.38) IDH1IDH2JAK2KDRFLT3
SCHEMBL31127325 0.81 IDH1 (0.38) IDH1IDH2JAK2KDRFLT3
SCHEMBL21165894 0.80 IDH1 (0.30) IDH1IDH2
SCHEMBL19686920 0.80 KCNN2 (0.38) IDH1IDH2
SCHEMBL21165850 0.74 IDH1 (0.34) IDH1IDH2
SCHEMBL31127111 0.69 KCNN2 (0.38) IDH1IDH2
SCHEMBL21143914 0.69 KCNN2 (0.38) IDH1IDH2

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
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

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 3017/4885IDH2 2447/4885RET 3544/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885RET 3544/4885

“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.