SCHEMBL428016

SCHEMBL428016

Cc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 1/20 0.47
USP2 O75604 3/20 0.46
CASP1 P29466 1/20 0.46
CASP5 P51878 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MC4R P32245 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
NR1H2 P55055 1/20 0.43
TSHR P16473 1/20 0.43
DDR1 Q08345 2/20 0.42
HPGD P15428 1/20 0.42
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41

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
SCHEMBL10819405 0.90 CHKA (0.57) CHKAALDH1A1KDM4EMAPTCYP2D6
SCHEMBL12426565 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL24565989 0.87 ALDH1A1 (0.54) CHKAALDH1A1KDM4ECYP2D6CYP3A4
SCHEMBL10104420 0.87 ALDH1A1 (0.58) CHKAALDH1A1KDM4ECYP2D6CYP3A4
SCHEMBL18775237 0.86 ALDH1A1 (0.58) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL13960087 0.86 ALDH1A1 (0.60) CHKAALDH1A1KDM4ECYP2D6CYP3A4
SCHEMBL6925369 0.84 CHKA (0.52) CHKAALDH1A1KDM4EMAPTCYP2D6
SCHEMBL7812427 0.84 CHKA (0.68) CHKAALDH1A1KDM4EMAPTCYP2D6
SCHEMBL18783072 0.84 ALDH1A1 (0.56) CHKAALDH1A1KDM4EMAPTCYP2D6
SCHEMBL21974946 0.84 CHKA (0.49) CHKAALDH1A1KDM4EMAPTCYP2D6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 WO disclosed
US-10946021-B2 Methods of treating or alleviating joint diseases by administering an inhibitor of discoidin domain receptor 1 (DDR1) KAOHSIUNG MEDICAL UNIVERSITY (TW) 2021-03-16 US disclosed
WO-2020079652-A1 KINASE INHIBITORS Insilico Medicine Hong Kong Limited (CN) 2020-04-23 WO disclosed
US-20200030332-A1 INHIBITOR AND ACTIVATOR OF DISCOIDIN DOMAIN RECEPTOR 1 AND THEIR USE KAOHSIUNG MEDICAL UNIVERSITY (TW) 2020-01-30 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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-10946021-B2 Methods of treating or alleviating joint diseases by administering an inhibitor of discoidin domain receptor 1 (DDR1) DDR1, DDR2, DDRGK1 CHKA 3450/4885ALDH1A1 2824/4885KDM4E 3633/4885
US-20200030332-A1 INHIBITOR AND ACTIVATOR OF DISCOIDIN DOMAIN RECEPTOR 1 AND THEIR USE DDR1, DDR2, DDRGK1 CHKA 2968/4885ALDH1A1 3691/4885KDM4E 3540/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CHKA 857/4885ALDH1A1 327/4885KDM4E 1013/4885

“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.