SCHEMBL4181990

SCHEMBL4181990

N#Cc1cccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nc4c(nc32)CCCC4)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.52
CCR2 P41597 1/20 0.45
DPP4 P27487 1/20 0.41
CFTR P13569 1/20 0.40
P2RX3 P56373 4/20 0.39
YTHDC1 Q96MU7 1/20 0.39
TP53 P04637 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 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
SCHEMBL4183803 0.78 ADORA3 (0.51) P2RX3MAPT
SCHEMBL4181911 0.77 MAPT (0.42) TP53MAPT
SCHEMBL4173690 0.77 ADORA3 (0.50) P2RX3MAPT
SCHEMBL4179942 0.76 SMN1; SMN2 (0.41) P2RX3TP53MAPT
SCHEMBL4079500 0.73 CLPP (0.43) CLPPCCR2P2RX3GRIN1GRIN2B
SCHEMBL4164606 0.73 TSHR (0.42) P2RX3TP53MAPT
SCHEMBL4171957 0.72 AVPR2 (0.41) P2RX3TP53MAPT
SCHEMBL3589574 0.70 CTSK (0.48) CLPPCCR2CFTRP2RX3
SCHEMBL26705465 0.70 CLPP (0.71) CLPPCCR2P2RX3
SCHEMBL26704966 0.70 CLPP (0.61) CLPPCCR2CFTRP2RX3

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 5 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

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 CLPP 4755/4885CCR2 3330/4885DPP4 1757/4885

“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.