SCHEMBL1917870

SCHEMBL1917870

CCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.50
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
CTSK P43235 1/20 0.43
SREBF2 Q12772 1/20 0.38
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL6618330 0.90 GSK3B (0.44) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL27564785 0.88 GSK3B (0.43) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL11297462 0.87 GPR84 (0.44) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL2946753 0.87 GPR84 (0.44) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL457222 0.85 SMN1; SMN2 (0.56) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL4814536 0.84 GPR84 (0.42) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL28173006 0.84 TP53 (0.42) ADORA3ADORA2AADORA1SMN1; SMN2SREBF2
SCHEMBL1919006 0.84 GSK3B (0.49) ADORA3ADORA2AADORA1PDE3BPDE3A
SCHEMBL8012754 0.83 SREBF2 (0.41) ADORA3ADORA2AADORA1SMN1; SMN2SREBF2
SCHEMBL8723967 0.82 NOTUM (0.39) ADORA3ADORA2AADORA1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112908530-B Power distribution copper core wire and wire core stranding device 芜湖森普铁芯有限公司 2022-05-13 CN claimed
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
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
WO-2010016549-A1 TRICYCLIC COMPOUND 協和発酵キリン株式会社 (JP) 2010-02-11 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 (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.