SCHEMBL15522951

SCHEMBL15522951

CC1(C(F)(F)F)CCN2CCNC(=O)c3cccc1c32

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.36
PDK2 Q15119 2/20 0.36
NPY5R Q15761 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33

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
SCHEMBL15522686 0.83 MEN1 (0.42) PARP1PARP10PARP11
SCHEMBL15522640 0.75 HTR2C (0.60)
SCHEMBL17075196 0.68 PARP1 (0.39) PARP1PARP10PARP11
SCHEMBL6202369 0.67 HTR2C (0.53) PARP1PARP10PARP11
SCHEMBL17075155 0.63 PARP1 (0.39) PARP1
SCHEMBL1533025 0.62 PARP10 (0.46) PARP1PDK2PARP10PARP11
SCHEMBL2060502 0.61 PARP1 (0.51) PARP1PARP10PARP11
SCHEMBL15522728 0.60 HTR2C (0.50)
SCHEMBL8269480 0.60 PARP1 (0.45) PARP1
SCHEMBL7156414 0.60 S100A4 (0.41) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2020-09-10 US claimed
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2019-03-07 US claimed
US-20160016954-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-21 US claimed
US-9169253-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-27 US claimed
US-20140080813-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES ABBVIE DEUTSCHLAND (DE) 2014-03-20 US claimed
US-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 US claimed
US-20140080814-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20140080813-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A PARP1 1027/4885PDK2 1584/4885NPY5R 69/4885
US-20160016954-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A PARP1 1027/4885PDK2 1584/4885NPY5R 69/4885
US-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A PARP1 1027/4885PDK2 1584/4885NPY5R 69/4885
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A PARP1 1027/4885PDK2 1584/4885NPY5R 69/4885
US-20140080814-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A PARP1 1027/4885PDK2 1584/4885NPY5R 69/4885
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A PARP1 1027/4885PDK2 1584/4885NPY5R 69/4885

“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.