SCHEMBL22637367

SCHEMBL22637367

CCOC(=O)c1cc(C)n(-c2cccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.55
MAPT P10636 4/20 0.52
TP53 P04637 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL3299372 0.85 KMT2A (0.68) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL20028497 0.84 KMT2A (0.53) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL26071419 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL22637874 0.82 MARS1 (0.53) KMT2AMEN1ALDH1A1CNR1CNR2
SCHEMBL4927203 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL5517585 0.82 KMT2A (0.58) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL5521086 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL4932148 0.81 KMT2A (0.54) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL4927987 0.81 KMT2A (0.54) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL20027831 0.81 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 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 (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-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KMT2A 232/4885MEN1 1117/4885ALDH1A1 2052/4885

“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.