SCHEMBL1918307

SCHEMBL1918307

Cc1cc(-c2ccccc2)cc2nc(CO)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2B P29275 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
NPY5R Q15761 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
DHODH Q02127 1/20 0.35
NLRP3 Q96P20 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 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
SCHEMBL1918941 0.89 ADORA3 (0.42) ADORA3ADORA2AADORA1ADORA2BNPY5R
SCHEMBL1918924 0.80 ADORA3 (0.47) ADORA3ADORA2AADORA1NPY5RDHODH
SCHEMBL1918105 0.79 MAPT (0.46) PRKAG1PRKAA2PRKAB1
SCHEMBL14395514 0.77 NPY5R (0.47) NPY5RGAAL3MBTL1PKM
SCHEMBL1918303 0.77 DHODH (0.47) TDP1DHODH
SCHEMBL31459666 0.75 TDP1 (0.38) ADORA1TDP1NPSR1
SCHEMBL5204337 0.74 TDP1 (0.40) TDP1NPSR1GAAL3MBTL1
SCHEMBL14097414 0.71 ABL1 (0.65)
SCHEMBL22650275 0.70 DHODH (0.49) ADORA3ADORA2AADORA1DHODHNLRP3
SCHEMBL7660194 0.69 NPC1 (0.47) TDP1NPSR1PRKAG1PRKAA2PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 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 (3 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD ADORA3 654/4885ADORA2A 596/4885ADORA1 450/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD ADORA3 654/4885ADORA2A 596/4885ADORA1 450/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD ADORA3 1519/4885ADORA2A 1624/4885ADORA1 1219/4885

“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.