SCHEMBL4173690

SCHEMBL4173690

CCCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nc3c(nc21)CCC3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.50
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
ADORA2A P29274 2/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX3 P56373 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4183803 0.99 ADORA3 (0.51) ADORA3MAPTLMNAADORA2AADORA2B
SCHEMBL4181911 0.84 MAPT (0.42) ADORA3MAPTLMNAADORA2AKDM4E
SCHEMBL4175387 0.83 KDM4E (0.49) ADORA3MAPTLMNAADORA2AADORA2B
SCHEMBL4179942 0.83 SMN1; SMN2 (0.41) ADORA3MAPTLMNAADORA2AADORA1
SCHEMBL4180486 0.82 ADORA2A (0.50) ADORA3MAPTLMNAADORA2AADORA2B
SCHEMBL4164606 0.81 TSHR (0.42) ADORA3MAPTLMNAKDM4ETSHR
SCHEMBL4169269 0.80 ADORA3 (0.46) ADORA3MAPTLMNAADORA2AADORA2B
SCHEMBL4181951 0.78 ADORA3 (0.46) ADORA3MAPTLMNAADORA2AADORA2B
SCHEMBL4171957 0.78 AVPR2 (0.41) MAPTLMNAP2RX3
SCHEMBL4181990 0.77 CLPP (0.52) MAPTP2RX3

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-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 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 (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-20090088439-A1 Diazinane Compounds GABRB1, GRPR, GIPR ADORA3 322/4885MAPT 3675/4885LMNA 3724/4885

“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.