SCHEMBL1918924

SCHEMBL1918924

Cc1nc2cc(-c3ccccc3)cc(C)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
DHODH Q02127 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
NPY5R Q15761 5/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL14395514 0.83 NPY5R (0.47) SMN1; SMN2KDM4ENPY5RRAB9ANPC1
SCHEMBL21974418 0.80 DHODH (0.60) DHODH
SCHEMBL1918307 0.80 ADORA3 (0.40) ADORA3ADORA2AADORA1DHODHNPY5R
SCHEMBL1918941 0.77 ADORA3 (0.42) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL11430318 0.74 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKDM4EDHODHPARP1
SCHEMBL5850166 0.74 PARP1 (0.43) ADORA3SMN1; SMN2HPGDKDM4EPARP1
SCHEMBL1918921 0.72 DHODH (0.64) SMN1; SMN2HPGDKDM4EDHODH
SCHEMBL21765583 0.72 KDM4E (0.46) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E
SCHEMBL28872964 0.71 NPC1 (0.47) SMN1; SMN2HPGDKDM4EDHODHPARP1
SCHEMBL16801763 0.71 NQO2 (0.42) ADORA3ADORA2AADORA1SMN1; SMN2HPGD

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.