SCHEMBL21144173

SCHEMBL21144173

CC(=O)NCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.40
CCNT1 O60563 3/20 0.38
IDH2 P48735 2/20 0.37
CNR1 P21554 1/20 0.36
MAPK1 P28482 3/20 0.36
RPS6KA1 Q15418 1/20 0.36
P2RX7 Q99572 5/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL31127140 0.84 IDH1 (0.35) IDH1CCNT1MAPK1
SCHEMBL21144373 0.84 IDH1 (0.35) IDH1CCNT1MAPK1
SCHEMBL31127050 0.83 KDM1A (0.35) IDH1CCNT1CNR1MAPK1RPS6KA1
SCHEMBL21143936 0.83 KDM1A (0.35) IDH1CCNT1CNR1MAPK1RPS6KA1
SCHEMBL21143917 0.82 IDH1 (0.43) IDH1CCNT1IDH2CNR1P2RX7
SCHEMBL31127095 0.80 IDH1 (0.43) IDH1CCNT1IDH2CNR1P2RX7
SCHEMBL21143658 0.80 IDH1 (0.43) IDH1CCNT1IDH2CNR1P2RX7
SCHEMBL21143821 0.79 IDH1 (0.43) IDH1CCNT1IDH2
SCHEMBL31127024 0.79 IDH1 (0.43) IDH1CCNT1IDH2
SCHEMBL19687097 0.79 IDH1 (0.36) IDH1CCNT1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
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
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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNT1 4771/4885IDH2 2447/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNT1 4771/4885IDH2 2447/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNT1 4771/4885IDH2 2447/4885

“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.