SCHEMBL2229144

SCHEMBL2229144

CC(=O)c1cn(C(C)C)c2c(Cl)nccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12444889 0.79 MAPT (0.39) LMNASMN1; SMN2POLBHTT
SCHEMBL2227349 0.79 MAPT (0.39) LMNASMN1; SMN2POLBHTT
SCHEMBL2545031 0.78 POLB (0.36) LMNASMN1; SMN2POLBHTT
SCHEMBL4095742 0.72 BRD4 (0.40) LMNASMN1; SMN2PARP1BRD4POLB
SCHEMBL2227996 0.72 NFATC1 (0.56) NTRK1LMNAHTT
SCHEMBL2227346 0.71 MAP3K7 (0.34) NTRK1LMNA
SCHEMBL15724407 0.71 KAT2B (0.41) LMNASMN1; SMN2PARP1BRD4POLB
SCHEMBL2227399 0.70 NTRK1 (0.36) NTRK1
SCHEMBL12444946 0.67 KAT2B (0.56) LMNASMN1; SMN2BRD4POLBHTT
SCHEMBL28579341 0.67 HTR3A (0.44) BRD4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 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-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 NTRK1 1360/4885LMNA 4525/4885SMN1; SMN2 4211/4885

“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.