SCHEMBL760604

SCHEMBL760604

C1=C(c2c[nH]c3cnccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
DYRK1A Q13627 11/20 0.60
NFATC1 O95644 6/20 0.60
GSK3B P49841 4/20 0.60
PDPK1 O15530 1/20 0.53
TGFBR1 P36897 1/20 0.53
IKBKE Q14164 1/20 0.53
CDK2 P24941 3/20 0.50
DYRK1B Q9Y463 3/20 0.50
IGF1R P08069 2/20 0.50
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2C P28335 1/20 0.42
IMPDH2 P12268 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2462725 0.83 KDM4E (0.65) HTR2ADYRK1ANFATC1GSK3BPDPK1
SCHEMBL25770095 0.80 HTR2A (1.00) HTR2ADYRK1ANFATC1GSK3BPDPK1
SCHEMBL25254037 0.77 HTR2A (0.59) HTR2ADYRK1ANFATC1GSK3B
SCHEMBL19972700 0.77 HTR2A (0.49) HTR2ADYRK1ANFATC1GSK3BPDPK1
SCHEMBL14875491 0.76 HTR2A (0.48) HTR2ADYRK1ANFATC1GSK3BCDK2
SCHEMBL30461701 0.75 DYRK1A (1.00) HTR2ADYRK1ANFATC1GSK3BPDPK1
SCHEMBL25421202 0.75 DYRK1A (1.00) HTR2ADYRK1ANFATC1GSK3BPDPK1
SCHEMBL16801801 0.75 HTR2A (0.47) HTR2ADYRK1ANFATC1GSK3BHSD17B10
SCHEMBL18324770 0.75 TDO2 (0.71) HTR2ADYRK1ANFATC1GSK3BHSD17B10
SCHEMBL28037610 0.74 KDM4E (0.53) HTR2ADYRK1AGSK3BHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP claimed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US claimed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO claimed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 HTR2A 4030/4885DYRK1A 3722/4885NFATC1 394/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 HTR2A 4030/4885DYRK1A 3722/4885NFATC1 394/4885

“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.