SCHEMBL4374777

SCHEMBL4374777

Cc1cccc2nc(C3CC3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2A P29274 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PARP1 P09874 2/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6757234 0.93 NPC1 (0.50) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL6759261 0.92 NPC1 (0.52) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL7964868 0.91 HTR2C (0.47) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL1917415 0.79 ADORA3 (0.45) ADORA3ADORA1ADORA2AALDH1A1HPGD
SCHEMBL5201225 0.79 PDE4A (0.41) ADORA3ADORA1ALDH1A1MAPTPARP1
SCHEMBL15453058 0.79 SCN10A (0.49) PARP1
SCHEMBL16809165 0.79 CDC7 (0.42) NPC1RAB9AALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL16778480 0.77 CDC7 (0.43) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL16789768 0.76 NPC1 (0.45) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL12849696 0.75 KDM4E (0.36) KDM4EPOLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 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-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA NPC1 1032/4885RAB9A 2518/4885ADORA3 440/4885

“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.