SCHEMBL6345004

SCHEMBL6345004

Cc1nn(-c2cccnc2)c2[nH]c3cc(F)c(F)cc3c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38

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
Hydrochloric Acid SCHEMBL6351689 0.99 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL6344214 0.85 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6342884 0.84 HPGD (0.47) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6342685 0.79 L3MBTL1 (0.41) KDM4EHSD17B10ALDH1A1HPGDMEN1
Water SCHEMBL6344649 0.78 L3MBTL1 (0.41) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6344723 0.77 ALDH1A1 (0.38) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6342914 0.73 KDM4E (0.38) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6341840 0.72 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6344518 0.72 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6342472 0.71 HPGD (0.50) KDM4EHSD17B10ALDH1A1HPGDMEN1

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 KDM4E 4355/4885HSD17B10 305/4885ALDH1A1 1952/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 KDM4E 1741/4885HSD17B10 802/4885ALDH1A1 1061/4885

“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.