SCHEMBL2774450

SCHEMBL2774450

O=C(O)c1cn(-c2ccccc2Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR1 Q9BXC0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
RBP4 P02753 1/20 0.34

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
SCHEMBL30582338 0.86 ADA (0.43) KDM4EHCAR1ALDH1A1MGLL
SCHEMBL19991300 0.81 KDM4E (0.49) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL20162909 0.81 KDM4E (0.49) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL27655886 0.81 KDM4E (0.56) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL29367242 0.81 KDM4E (0.49) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL27648103 0.79 KDM4E (0.48) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL69486 0.78 KDM4E (0.55) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL27894425 0.76 KDM4E (0.54) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL4247461 0.74 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL4424566 0.73 NPC1 (0.53) KDM4EALDH1A1

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
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 US disclosed
WO-2010136438-A1 (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS N.V. ORGANON (NL) 2010-12-02 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A KDM4E 2137/4885LMNA 3298/4885NAPRT 1555/4885

“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.