SCHEMBL6501662

SCHEMBL6501662

COc1cnc(C#N)c(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
CHEK1 O14757 5/20 0.33
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
KCNH2 Q12809 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TNIK Q9UKE5 1/20 0.30
CHRNB2 P17787 2/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA4 P43681 2/20 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
SCHEMBL6493587 0.90 CHEK1 (0.31) HTR2CHTR2AHTR2BCHEK1IKBKE
SCHEMBL6806064 0.88 IKBKE (0.32) CHEK1IKBKETBK1
SCHEMBL6503481 0.84 CCR3 (0.31) HTR2CLRRK2
SCHEMBL6501374 0.84 PIK3CA (0.36) HTR2CHTR2AHTR2BCHEK1IKBKE
SCHEMBL6498252 0.83 HTR2C (0.38) HTR2CHTR2AHTR2BKCNH2LRRK2
SCHEMBL6491978 0.82 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL6493927 0.82 HTR2C (0.32) HTR2CHTR2AHTR2B
SCHEMBL6491690 0.81 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6490191 0.81 HTR2C (0.36) HTR2CHTR2AHTR2BLRRK2CHRNB2
SCHEMBL6499854 0.79 CHEK1 (0.37) HTR2CHTR2AHTR2BCHEK1TBK1

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 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885

“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.