SCHEMBL2422505

SCHEMBL2422505

CN(C)CCNC(=O)c1cn(Cc2ccccc2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ FSCN1 Q16658 1/20 0.46
▸ BRD4 O60885 4/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ POLR1A O95602 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL2419642 0.81 LMNA (0.52) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL12284564 0.80 KDM4E (0.59) ALDH1A1KDM4EBRD4MAPK8
SCHEMBL2418823 0.77 MAPK14 (0.53) BRD4
SCHEMBL2419533 0.75 MAPK14 (0.48) BRD4
SCHEMBL2421708 0.72 MAPK14 (0.61) BRD4
SCHEMBL18824196 0.72 TNFSF11 (0.53) CYP1A2ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL18589533 0.72 CNR2 (0.56) ALDH1A1MEN1KMT2AHDAC1HDAC2
SCHEMBL2417549 0.72 KDM4E (0.48) KDM4ESMN1; SMN2MEN1KMT2AFSCN1
SCHEMBL17346908 0.71 CNR2 (0.56) ALDH1A1HDAC1HDAC2
SCHEMBL29779007 0.71 HDAC1 (0.46) SMN1; SMN2HPGDMEN1KMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 — — EP disclosed
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 — — EP disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 — — US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 — — US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 — — US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 — — 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-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 CYP1A2 22/4885ALDH1A1 272/4885KDM4E 2093/4885

“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.

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