SCHEMBL2858360

SCHEMBL2858360

c1cc(Oc2cnccn2)c2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.49
BRAF P15056 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TRPA1 O75762 2/20 0.47
PIK3CD O00329 2/20 0.42
HTR1B P28222 2/20 0.41
MAPK1 P28482 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPT P10636 1/20 0.40
HTR1A P08908 4/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
GRM4 Q14833 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 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
SCHEMBL1499400 0.77 RHEB (0.73) RHEBMEN1KMT2ATRPA1PIK3CD
SCHEMBL9687165 0.76 RHEB (0.55) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL9688083 0.75 RHEB (0.58) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL28512746 0.74 RHEB (0.48) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL29693061 0.74 RHEB (0.45) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL18049165 0.74 LOXL2 (0.51) RHEBBRAFTRPA1HTR1BDRD4
SCHEMBL18049125 0.74 RHEB (0.45) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL13548829 0.72 RHEB (0.48) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL5108174 0.71 RHEB (0.48) RHEBBRAFMEN1KMT2ATRPA1
SCHEMBL3874602 0.71 RHEB (0.55) RHEBBRAFMEN1KMT2ATRPA1

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 17 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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US 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
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
US-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
EP-0237467-A2 Heteroaryl-oxy-beta-carboline derivatives, their preparation and use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-16 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 (5 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 RHEB 2806/4885BRAF 150/4885MEN1 3782/4885
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B RHEB 600/4885BRAF 158/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RHEB 598/4885BRAF 141/4885MEN1 4470/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 RHEB 3108/4885BRAF 283/4885MEN1 4417/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 RHEB 2806/4885BRAF 150/4885MEN1 3782/4885

“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.