Ethylamine

Ethylamine

SCHEMBL4294725

CCN.O=c1[nH]ccc2ccc3ccccc3c12

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.58
CHEK1 O14757 10/20 0.52
JAK2 O60674 1/20 0.51
RPS6KA3 P51812 1/20 0.51
MELK Q14680 1/20 0.51
STK24 Q9Y6E0 1/20 0.51
TYMS P04818 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL669508 0.90 PARP1 (0.70) PARP1CHEK1JAK2RPS6KA3MELK
SCHEMBL57212 0.74 PARP1 (1.00) PARP1CHEK1JAK2RPS6KA3MELK
SCHEMBL29365341 0.74 PARP1 (1.00) PARP1CHEK1JAK2RPS6KA3MELK
Hydrochloric Acid SCHEMBL30294983 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK
Benzene SCHEMBL670928 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK
Hydrochloric Acid SCHEMBL2455495 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK
Potassium SCHEMBL3099047 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK
SCHEMBL670718 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK
Hydrochloric Acid SCHEMBL7380702 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK
SCHEMBL27946369 0.73 PARP1 (0.95) PARP1CHEK1JAK2RPS6KA3MELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A PARP1 193/4885CHEK1 1/4885JAK2 1085/4885

“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.