SCHEMBL18174004

SCHEMBL18174004

Nc1cc(=O)cc2n1CCc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
BCAT2 O15382 1/20 0.40
CES1 P23141 3/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
MEN1 O00255 1/20 0.35
JAK2 O60674 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL18174162 0.88 GPR84 (0.42) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10361722 0.72 GPR84 (0.44) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18174042 0.72 GPR84 (0.42) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL877751 0.72 HSD17B10 (0.50) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18174069 0.72 BCAT2 (0.37) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL29714643 0.71 NPC1 (0.53) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL17709309 0.71 NPC1 (0.53) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7292520 0.71 MAPT (0.46) GPR84KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5658471 0.70 CES1 (0.44) GPR84KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29050604 0.70 NPC1 (0.51) GPR84KDM4ENPC1RAB9ASMN1; SMN2

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 1/4885KDM4E 3499/4885NPC1 2128/4885

“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.