SCHEMBL6493587

SCHEMBL6493587

Cc1cnc(C#N)c(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL6806064 0.90 IKBKE (0.32) CHEK1IKBKETBK1
SCHEMBL6501662 0.90 HTR2C (0.37) CHEK1IKBKETBK1HTR2AHTR2C
SCHEMBL6501374 0.86 PIK3CA (0.36) CHEK1IKBKETBK1HTR2AHTR2C
SCHEMBL6810240 0.86 HTR2C (0.33) CHEK1HTR2AHTR2CHTR2B
SCHEMBL6491690 0.86 HTR2C (0.36) HTR2AHTR2CHTR2B
SCHEMBL6493927 0.85 HTR2C (0.32) HTR2AHTR2CHTR2B
SCHEMBL6810852 0.85 HTR2C (0.32) HTR2AHTR2CHTR2B
SCHEMBL6810658 0.84 TYK2 (0.35) HTR2AHTR2CHTR2B
SCHEMBL6502965 0.82 HTR2A (0.36) HTR2AHTR2CHTR2B
SCHEMBL6789302 0.82 HTR2C (0.35) HTR2AHTR2CHTR2B

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 CHEK1 4017/4885IKBKE 1694/4885TBK1 2244/4885

“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.