SCHEMBL4109641

SCHEMBL4109641

CC(C)C(Br)c1nc2nc3ccccc3nc2c(=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
USP2 O75604 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL13981796 0.86 CACNA2D1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5106703 0.83 KIF11 (0.49) KDM4EMAPTPDE4APDE4BPDE4C
SCHEMBL6026954 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14522639 0.79 PDE4A (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4263303 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14367276 0.79 PDE4A (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4098315 0.78 LMNA (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4752671 0.77 PDE4A (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6028568 0.76 PDE1C (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6026713 0.75 ALDH1A1 (0.51) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885KDM4E 886/4885MEN1 2194/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885KDM4E 886/4885MEN1 2194/4885

“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.