SCHEMBL2861890

SCHEMBL2861890

Fc1cccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(CCl)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.37
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
XBP1 P17861 1/20 0.35
ICMT O60725 2/20 0.34
TP53 P04637 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
HPN P05981 1/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2861558 0.89 PTGER1 (0.39) PTGER1ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL2860001 0.83 ADORA2A (0.42) PTGER1ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL27536115 0.80 ALDH1A1 (0.41) PTGER1ALDH1A1KDM4EHTTMAPK1
SCHEMBL13198129 0.79 L3MBTL1 (0.41) PTGER1ADORA1ALDH1A1KDM4EHTT
SCHEMBL4136387 0.78 CSNK2A2 (0.41) PTGER1ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL2867219 0.78 DRD4 (0.33) PTGER1ALDH1A1KDM4ETP53HSD17B10
SCHEMBL2864259 0.77 PTGER1 (0.43) PTGER1ADORA1ALDH1A1KDM4EHTT
SCHEMBL2872658 0.77 ADORA2A (0.41) PTGER1ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL4139399 0.76 CSNK2A2 (0.41) PTGER1ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL2857932 0.76 PTGER1 (0.41) PTGER1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PTGER1 3143/4885ADORA1 1820/4885ADORA2A 3048/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PTGER1 4240/4885ADORA1 2921/4885ADORA2A 4348/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PTGER1 3143/4885ADORA1 1820/4885ADORA2A 3048/4885

“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.