Dimethylamine

Dimethylamine

SCHEMBL7229844

CNC.COC(=O)c1ccc(-c2ccnc(C)c2)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PSEN1 P49768 5/20 0.49
PSEN2 P49810 5/20 0.49
APH1B Q8WW43 5/20 0.49
NCSTN Q92542 5/20 0.49
APH1A Q96BI3 5/20 0.49
PSENEN Q9NZ42 5/20 0.49
PORCN Q9H237 1/20 0.49
EGFR P00533 1/20 0.48
ERN1 O75460 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SLC2A1 P11166 1/20 0.47
WNT3A P56704 2/20 0.46
PIK3CB P42338 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1492671 0.97 DYRK1A (0.58) DYRK1AROCK2ROCK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5548061 0.95 DYRK1A (0.57) DYRK1AROCK2ROCK1KDM4EALDH1A1
Dimethylamine SCHEMBL7231517 0.84 PSEN1 (0.51) DYRK1AROCK2ROCK1PSEN1PSEN2
SCHEMBL17386399 0.83 KDM4E (0.59) KDM4EALDH1A1EGFRERN1TDP1
SCHEMBL6298847 0.82 CA12 (0.51) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL5562183 0.82 CDK8 (0.54) DYRK1AROCK2ROCK1KDM4EPSEN1
SCHEMBL23380278 0.80 KDM4E (0.51) KDM4EALDH1A1EGFRERN1TDP1
SCHEMBL5542944 0.80 MKNK1 (0.67) DYRK1AROCK2ROCK1KDM4EALDH1A1
SCHEMBL12441753 0.79 PIK3CB (0.53) DYRK1AROCK2ROCK1KDM4EALDH1A1
SCHEMBL4426879 0.79 RXRA (0.55) DYRK1APSEN1PSEN2APH1BNCSTN

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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 DYRK1A 4323/4885ROCK2 2529/4885ROCK1 1507/4885

“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.