SCHEMBL2694748

SCHEMBL2694748

CC(C)c1n[nH]c2nccc(-c3cc4ccccc4o3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TOP2A P11388 1/20 0.42
ADRA2A P08913 2/20 0.41
GRM4 Q14833 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
PDE4D Q08499 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
KDM5A P29375 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
SCHEMBL2692816 0.78 FYN (0.48) KDM4EALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL27010940 0.70 LRRK2 (0.34) CDK9
SCHEMBL2695036 0.70 FYN (0.38) MAPTKMT2AMEN1POLBTDP1
SCHEMBL414693 0.69 CDK9 (0.54) NPC1RAB9ATOP2AADRA2AGRM4
SCHEMBL2694498 0.69 NUDT1 (0.47)
SCHEMBL25517483 0.69 CCNT1 (0.47) NPC1RAB9ATOP2AADRA2AGRM4
SCHEMBL25517484 0.67 CCNT1 (0.52) NPC1RAB9ATOP2AADRA2AGRM4
SCHEMBL2693953 0.66 LRRK2 (0.48) TOP2AADRA2AMAPKAPK2ALDH1A1ADRA2B
SCHEMBL30332332 0.66 DAO (0.39) CDK9
SCHEMBL30332414 0.66 AURKB (0.41) MAPKAPK2CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US 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 (2 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 NPC1 1629/4885RAB9A 1579/4885TOP2A 270/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 NPC1 1629/4885RAB9A 1579/4885TOP2A 270/4885

“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.