SCHEMBL14084204

SCHEMBL14084204

Nc1nc(OC[C@H]2CCCCN2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.47
▸ LTA4H P09960 7/20 0.41
▸ BCHE P06276 1/20 0.41
▸ PRKCI P41743 2/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39

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
SCHEMBL14084205 1.00 HRH4 (0.47) HRH4LTA4HBCHEPRKCICDK1
SCHEMBL14084203 0.97 HRH4 (0.48) HRH4LTA4HBCHECHRNB2CHRNA4
SCHEMBL14084202 0.97 HRH4 (0.48) HRH4LTA4HBCHECHRNB2CHRNA4
SCHEMBL14084248 0.93 HRH4 (0.50) HRH4BCHECDK1CCNB1CCNA2
SCHEMBL14084164 0.80 HRH4 (0.50) HRH4BCHEPRKCI
SCHEMBL14084165 0.78 HRH4 (0.48) HRH4BCHE
SCHEMBL14084163 0.76 HRH4 (0.51) HRH4BCHEPRKCI
SCHEMBL14084226 0.76 HRH4 (0.51) HRH4BCHEPRKCI
SCHEMBL13650585 0.76 HRH4 (0.50) HRH4LTA4HPRKCI
SCHEMBL13650584 0.76 HRH4 (0.50) HRH4LTA4HPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 — — US disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 — — US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 — — US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 — — 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS HRH4 3013/4885LTA4H 2158/4885BCHE 1235/4885

“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.

Send feedback