SCHEMBL430474

SCHEMBL430474

Fc1cc(-c2ccncc2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.50
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 6/20 0.50
CYP3A4 P08684 6/20 0.46
CYP19A1 P11511 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
QDPR P09417 1/20 0.45
KIF11 P52732 2/20 0.45
CYP21A2 P08686 3/20 0.44
IDO1 P14902 1/20 0.43
AAK1 Q2M2I8 1/20 0.40
NOTUM Q6P988 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
SCHEMBL2299673 0.84 KIF11 (0.55) CYP11B1CYP11B2LMNAKIF11IDO1
SCHEMBL257619 0.80 KIF11 (0.49) CYP11B1CYP11B2KIF11IDO1
SCHEMBL30285974 0.78 ALDH1A1 (0.54) CYP11B1CYP11B2LMNAMAPTKIF11
SCHEMBL1042606 0.78 ALDH1A1 (0.54) CYP11B1CYP11B2LMNAMAPTKIF11
SCHEMBL999759 0.78 CYP11B1 (0.44) CYP11B1CYP11B2KIF11IDO1
SCHEMBL28757717 0.77 RAB9A (0.44) CYP3A4MAPT
SCHEMBL2852129 0.77 KIF11 (0.55) KIF11
SCHEMBL2741575 0.77 KIF11 (0.46) CYP11B1CYP11B2MAPTKIF11IDO1
SCHEMBL13036104 0.75 CYP17A1 (0.50) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL29180048 0.75 MAPT (0.46) CYP3A4LMNAMAPTQDPRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 WO disclosed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 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 (3 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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 CYP17A1 15/4885CYP11B1 2/4885CYP11B2 7/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 CYP17A1 8/4885CYP11B1 4/4885CYP11B2 11/4885
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP CYP17A1 286/4885CYP11B1 39/4885CYP11B2 24/4885

“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.