SCHEMBL6344723

SCHEMBL6344723

Cc1cccc(-n2nc(C)c3c(=O)c4cc(F)c(F)cc4[nH]c32)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 4/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL6342914 0.86 KDM4E (0.38) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6342685 0.84 L3MBTL1 (0.41) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6344220 0.84 MEN1 (0.40) ALDH1A1KDM4EHSD17B10HPGDMEN1
Water SCHEMBL6344649 0.83 L3MBTL1 (0.41) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6341840 0.78 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6344518 0.78 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL6344214 0.77 KDM4E (0.44) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6345004 0.77 KDM4E (0.43) ALDH1A1LMNAKDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL6351689 0.76 KDM4E (0.43) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6342440 0.75 CCNE2 (0.39) LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US claimed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US claimed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP claimed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20040097539-A1 To decreases a tissue disorder caused by a compound having cyclooxygenase inhibiting activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1380296-A1 HSP INDUCTOR Takeda Chemical Industries, Ltd. (JP) 2004-01-14 EP disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 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-20040097539-A1 To decreases a tissue disorder caused by a compound having cyclooxygenase inhibiting activity HSPB1, HSPA1B, HSP90AB1 ALDH1A1 1952/4885LMNA 2421/4885KDM4E 4355/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 ALDH1A1 1061/4885LMNA 4847/4885KDM4E 1741/4885

“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.