SCHEMBL6285559

SCHEMBL6285559

Nc1nc(-c2ccc3ccccc3c2)c(-c2ccncc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 4/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 5/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK9 P45984 3/20 0.54
MAPK10 P53779 3/20 0.54
MAPK8 P45983 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50

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
SCHEMBL6285179 0.83 ALDH1A1 (0.83) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL6282401 0.79 ALDH1A1 (0.76) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL29394682 0.79 ALDH1A1 (0.97) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL1223368 0.79 ALDH1A1 (0.97) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL6283082 0.78 ALDH1A1 (0.67) ALDH1A1KDM4ECYP3A4HPGDALOX15
Hydrochloric Acid SCHEMBL16102298 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL6280916 0.78 MAPK14 (0.67) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL13753699 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL6284661 0.78 KDM4E (0.59) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL6279903 0.77 SMN1; SMN2 (0.84) ALDH1A1KDM4ECYP3A4HPGDALOX15

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-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 ALDH1A1 3345/4885KDM4E 4034/4885CYP3A4 4806/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885KDM4E 2889/4885CYP3A4 1299/4885

“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.