SCHEMBL18174042

SCHEMBL18174042

O=c1cc(Cl)cc2n1CCc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
MAPT P10636 6/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SETD7 Q8WTS6 1/20 0.36
CASP6 P55212 1/20 0.35
KMT2A Q03164 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
SCHEMBL10361722 0.81 GPR84 (0.44) GPR84MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL18174162 0.78 GPR84 (0.42) GPR84MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL30585052 0.78 GPR84 (0.45) GPR84MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL18173998 0.78 GPR84 (0.45) GPR84MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL5658471 0.77 CES1 (0.44) GPR84MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL875378 0.76 GPR84 (0.54) GPR84MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL18183443 0.74 KDM4E (0.59) GPR84MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL18174135 0.73 MAOB (0.47) GPR84SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL877751 0.72 HSD17B10 (0.50) GPR84MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL18174004 0.72 GPR84 (0.42) GPR84MAPTKDM4ESMN1; SMN2NPC1

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-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
EP-3286191-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2018-02-28 EP disclosed
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 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-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 GPR84 1/4885MAPT 4287/4885KDM4E 3499/4885

“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.