SCHEMBL5502180

SCHEMBL5502180

CCN(CC)CC(=O)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ MAPT P10636 6/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MC4R P32245 1/20 0.43

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
SCHEMBL5497733 0.88 HPGD (0.56) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL26945217 0.86 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL21416951 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5504353 0.81 ALDH1A1 (0.70) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5493842 0.78 SMN1; SMN2 (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2235637 0.77 CYP1A2 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16060789 0.75 KDM4E (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14568587 0.75 CFTR (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14568582 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL21416772 0.73 MAPT (0.48) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885MAPT 4333/4885HPGD 909/4885

“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