SCHEMBL15529909

SCHEMBL15529909

OC1CCc2cccnc2N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ADRA1A P35348 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL483331 0.79 HTR2A (0.37) IDH1HTR2AHTR2CHTR2BADRA1A
SCHEMBL8039039 0.79 GSK3B (0.39) IDH1HTR2AHTR2CHTR2BADRA1A
SCHEMBL1769307 0.77 GAA (0.41) IDH1
SCHEMBL21905591 0.76 IDH1 (0.40) IDH1
SCHEMBL8325895 0.75 DRD2 (0.38) IDH1HTR2AHTR2CHTR2BDRD2
SCHEMBL18067769 0.75 IDH1 (0.36) IDH1HTR2AHTR2CHTR2BADRA1A
SCHEMBL18068274 0.75 PDPK1 (0.38) IDH1HTR2AHTR2CHTR2BADRA1A
SCHEMBL28153638 0.75 IDH1 (0.36) IDH1HTR2AHTR2CHTR2BADRA1A
SCHEMBL18068310 0.72 GSK3B (0.37) IDH1ADRA1AADRA2A
SCHEMBL20073751 0.72 IDH1 (0.43) IDH1

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
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-02-19 US disclosed
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-06-28 US disclosed
US-9802958-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease LYCERA CORPORATION (US) 2017-10-31 US disclosed
EP-2847198-B1 TETRAHYDRO[1,8]NAPHTHYRIDINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR-GAMMA AND THE TREATMENT OF DISEASE LYCERA CORP (US) 2016-12-14 EP disclosed
US-20160318951-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-11-03 US disclosed
US-9394315-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2016-07-19 US disclosed
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-14 US disclosed
EP-2847198-A2 TETRAHYDRO[1,8]NAPHTHYRIDINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2015-03-18 EP disclosed
WO-2013169864-A2 TETRAHYDRO[1,8]NAPHTHYRIDINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORƴ AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2013-11-14 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 (4 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-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORC, RORA, RORB IDH1 1562/4885HTR2A 2333/4885HTR2C 2177/4885
US-20160318951-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB IDH1 1859/4885HTR2A 1723/4885HTR2C 1726/4885
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB IDH1 1918/4885HTR2A 1133/4885HTR2C 1250/4885
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORA, RORB IDH1 2339/4885HTR2A 2150/4885HTR2C 1574/4885

“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.