SCHEMBL5205345

SCHEMBL5205345

Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
XBP1 P17861 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK14 Q16539 3/20 0.46
ADORA2B P29275 3/20 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
SCHEMBL4103384 0.90 ALDH1A1 (0.57) TGFBR1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL3890113 0.86 MAPT (0.54) TGFBR1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL8069327 0.83 MAPT (0.68) TGFBR1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL6285194 0.82 KDM4E (0.61) TGFBR1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL18041639 0.82 TGFBR1 (0.65) TGFBR1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL3896452 0.81 MAPK14 (0.70) TGFBR1ALDH1A1KDM4EMAPTLMNA
Bromide SCHEMBL5698583 0.81 KDM4E (0.59) TGFBR1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL2798070 0.80 MAPK14 (0.72) MAPK14
SCHEMBL4266005 0.79 MAPK14 (0.52) ALDH1A1CYP3A4MAPTLMNAMAPK1
SCHEMBL27481686 0.79 MAPK14 (0.55) TGFBR1ALDH1A1KDM4ECYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 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-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 TGFBR1 818/4885ALDH1A1 1660/4885KDM4E 2793/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 TGFBR1 1738/4885ALDH1A1 2596/4885KDM4E 1325/4885

“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.