SCHEMBL170589

SCHEMBL170589

c1cc2c3ccoc3ccn2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
HTR2A P28223 5/20 0.38
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
FTO Q9C0B1 1/20 0.35
DYRK1A Q13627 1/20 0.34
DRD1 P21728 5/20 0.33
FADS1 O60427 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB1 P19838 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL12677713 0.77 MAP4K4 (0.38) DYRK1AMAPK1
SCHEMBL23466996 0.69 IDO1 (0.47) HTR2CHTR2ADYRK1ASLC6A2MAPK1
SCHEMBL29768319 0.69 IDO1 (0.47) HTR2CHTR2ADYRK1ASLC6A2MAPK1
SCHEMBL12677705 0.69 MAOA (0.36) HTR2CHTR2AMAOAMAOBFTO
SCHEMBL125392 0.67 HTR2A (0.40) HTR2CHTR2A
SCHEMBL129461 0.66 HTR2A (0.43) HTR2CHTR2AMAOB
SCHEMBL172383 0.65 HTR2A (0.39) HTR2CHTR2AMAOB
SCHEMBL4429415 0.64 PAX8 (0.48) HTR2CHTR2AMAOAMAOBFTO
SCHEMBL21855867 0.64 MAP4K4 (0.39)
SCHEMBL17847672 0.63 MAP4K4 (0.38) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 EP 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR HTR2C 7/4885HTR2A 15/4885MAOA 99/4885

“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.