SCHEMBL4182495

SCHEMBL4182495

NCCCC(=O)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.38
TBXAS1 P24557 8/20 0.38
WEE1 P30291 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRR2 P28476 1/20 0.35

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
SCHEMBL8481386 0.89 EGLN3 (0.40) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL22117141 0.88 EGLN3 (0.42) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL20622958 0.86 TBXAS1 (0.49) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL20623229 0.86 TBXAS1 (0.49) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL26206833 0.86 TBXAS1 (0.49) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL11463256 0.84 EGLN3 (0.45) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL7001982 0.81 EGLN3 (0.38) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL8032072 0.81 TBXAS1 (0.57) EGLN3TBXAS1ALDH1A1TDP1LMNA
SCHEMBL28774336 0.81 TBXAS1 (0.42) EGLN3TBXAS1WEE1ALDH1A1TDP1
SCHEMBL11598612 0.80 TBXAS1 (0.40) EGLN3TBXAS1WEE1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
US-9982095-B2 Substituted organopolysiloxanes and use thereof PHOSPHONICS LTD (GB) 2018-05-29 US disclosed
US-20090098082-A1 substiuted organopolysiloxanes and use thereof PHOSPHONICS LTD (GB) 2009-04-16 US disclosed
EP-1786850-B1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD (GB) 2008-11-26 EP disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 US disclosed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA EGLN3 608/4885TBXAS1 714/4885WEE1 871/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA EGLN3 956/4885TBXAS1 885/4885WEE1 1184/4885
US-20090098082-A1 substiuted organopolysiloxanes and use thereof OR10J3, SOST, ITGB3 EGLN3 2411/4885TBXAS1 3210/4885WEE1 1502/4885

“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.