SCHEMBL6320968

SCHEMBL6320968

CN(C)CCNC(=O)n1nc(-c2ccc(F)cc2)c2c[c]ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.40
ATM Q13315 5/20 0.38
PRKDC P78527 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL5380438 0.84 MALT1 (0.32) SMN1; SMN2ALDH1A1POLBKMT2AKDM4E
SCHEMBL5377151 0.84 GRIN1 (0.35) TP53MALT1
SCHEMBL5381637 0.84 HDAC6 (0.32) SMN1; SMN2TP53
SCHEMBL5381653 0.82 BRD4 (0.37) POLBSCN9AMALT1
SCHEMBL5386482 0.81 BRD4 (0.39) POLBSCN9A
SCHEMBL5377483 0.80 CA12 (0.35) MAPK1SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL4221224 0.77 RORC (0.36) MAPK1SMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL3138154 0.77 RORC (0.36) MAPK1SMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL5379169 0.76 MAPK14 (0.34) MAPK1ALDH1A1POLBMAPTRXFP1
SCHEMBL5377309 0.75 GRIA1 (0.34) SMN1; SMN2ALDH1A1POLBKMT2ASCN9A

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-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 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-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPK1 22/4885HPGD 1073/4885ATM 317/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPK1 16/4885HPGD 1197/4885ATM 386/4885

“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.