SCHEMBL6501374

SCHEMBL6501374

N#Cc1ncccc1Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
TBK1 Q9UHD2 5/20 0.33
IKBKE Q14164 3/20 0.33
JAK2 O60674 2/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL6491132 0.86 HTR2C (0.35) HTR2CHTR2AHTR2BTBK1IKBKE
SCHEMBL6493587 0.86 CHEK1 (0.31) HTR2CHTR2AHTR2BTBK1IKBKE
SCHEMBL6493927 0.86 HTR2C (0.32) HTR2CHTR2AHTR2B
SCHEMBL6806064 0.86 IKBKE (0.32) TBK1IKBKECHEK1
SCHEMBL6491801 0.86 HTR2C (0.37) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL6501662 0.84 HTR2C (0.37) HTR2CHTR2AHTR2BTBK1IKBKE
SCHEMBL6806051 0.84 HCRTR1 (0.34) HTR2CHTR2AHTR2B
SCHEMBL6504219 0.83 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL6814535 0.83 TYK2 (0.35) HTR2CHTR2AHTR2B
SCHEMBL6490078 0.83 HTR2C (0.33) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US 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 (1 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 PIK3CA 2492/4885PIK3CD 2117/4885PIK3CB 1904/4885

“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.